D437-0017 Screening compound: 4-butyl-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

D437-0017 Screening compound: 4-butyl-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
D437-0017 Screening compound: 4-butyl-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0017
4-butyl-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-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

D437-0017

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

4-butyl-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

IUPAC name

4-butyl-N-[4-(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]cyclohexane-1-carboxamide

SMILES

CCCCC(CC1)CCC1C(Nc1nc(-c(cc2)cc(N3)c2OCC3=O)cs1)=O

InChI

InChI=1S/C22H27N3O3S/c1-2-3-4-14-5-7-15(8-6-14)21(27)25-22-24-18(13-29-22)16-9-10-19-17(11-16)23-20(26)12-28-19/h9-11,13-15H,2-8,12H2,1H3,(H,23,26)(H,24,25,27)

InChI Key

LBJXDVCOIDAJQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.571

Distribution Coefficient, logD

5.571

Water Solubility, LogSw

-5.43

Polar Surface Area

66.567

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D437-0017 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D437-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0017?
Check Price and Availability of D437-0017, 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 D437-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0017
  • 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 D437-0017 available by request