C430-1060 Screening compound: N-CYCLOHEXYL-6-METHYL-8-OXO-7-PHENETHYL-2-PHENYL-5,6,7,8-TETRAHYDRO[1,3]THIAZOLO[5,4-F][1,4]OXAZEPINE-6-CARBOXAMIDE

C430-1060 Screening compound: N-CYCLOHEXYL-6-METHYL-8-OXO-7-PHENETHYL-2-PHENYL-5,6,7,8-TETRAHYDRO[1,3]THIAZOLO[5,4-F][1,4]OXAZEPINE-6-CARBOXAMIDE
C430-1060 Screening compound: N-CYCLOHEXYL-6-METHYL-8-OXO-7-PHENETHYL-2-PHENYL-5,6,7,8-TETRAHYDRO[1,3]THIAZOLO[5,4-F][1,4]OXAZEPINE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-1060
N-CYCLOHEXYL-6-METHYL-8-OXO-7-PHENETHYL-2-PHENYL-5,6,7,8-TETRAHYDRO[1,3]THIAZOLO[5,4-F][1,4]OXAZEPINE-6-CARBOXAMIDE

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C430-1060

Molecular Formula

C28H31N3O3S (C28 H31 N3 O3 S)

Compound Name

N-CYCLOHEXYL-6-METHYL-8-OXO-7-PHENETHYL-2-PHENYL-5,6,7,8-TETRAHYDRO[1,3]THIAZOLO[5,4-F][1,4]OXAZEPINE-6-CARBOXAMIDE

IUPAC name

N-cyclohexyl-6-methyl-8-oxo-2-phenyl-7-(2-phenylethyl)-5H6H7H8H-[13]thiazolo[54-f][14]oxazepine-6-carboxamide

SMILES

CC(COc1c2sc(-c3ccccc3)n1)(C(NC1CCCCC1)=O)N(CCc1ccccc1)C2=O

InChI

InChI=1S/C28H31N3O3S/c1-28(27(33)29-22-15-9-4-10-16-22)19-34-24-23(35-25(30-24)21-13-7-3-8-14-21)26(32)31(28)18-17-20-11-5-2-6-12-20/h2-3,5-8,11-14,22H,4,9-10,15-19H2,1H3,(H,29,33)/t28-/m0/s1

InChI Key

LGJDNRCHRVNZTH-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14756701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.046

Distribution Coefficient, logD

6.046

Water Solubility, LogSw

-5.36

Polar Surface Area

59.483

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.29

C430-1060 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C430-1060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-1060?
Check Price and Availability of C430-1060, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C430-1060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-1060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-1060
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C430-1060 available by request