C795-1011 Screening compound: 5-(4-chlorophenyl)-N~4~-cyclohexyl-6-oxo-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-4-carboxamide

C795-1011 Screening compound: 5-(4-chlorophenyl)-N~4~-cyclohexyl-6-oxo-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-4-carboxamide
C795-1011 Screening compound: 5-(4-chlorophenyl)-N~4~-cyclohexyl-6-oxo-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1011
5-(4-chlorophenyl)-N~4~-cyclohexyl-6-oxo-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-4-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

C795-1011

Molecular Formula

C27H28ClN3O2S (C27 H28 ClN3 O2 S)

Compound Name

5-(4-chlorophenyl)-N~4~-cyclohexyl-6-oxo-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-4-carboxamide

IUPAC name

8-(4-chlorophenyl)-N-cyclohexyl-9-oxo-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-7-carboxamide

SMILES

O=C(C(c1cccn1-c1c2c(CCCC3)c3s1)N(c(cc1)ccc1Cl)C2=O)NC1CCCCC1

InChI

InChI=1S/C27H28ClN3O2S/c28-17-12-14-19(15-13-17)31-24(25(32)29-18-7-2-1-3-8-18)21-10-6-16-30(21)27-23(26(31)33)20-9-4-5-11-22(20)34-27/h6,10,12-16,18,24H,1-5,7-9,11H2,(H,29,32)/t24-/m1/s1

InChI Key

FIOAJUAMWVVUSX-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14797189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.06

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.381

Distribution Coefficient, logD

6.381

Water Solubility, LogSw

-6.56

Polar Surface Area

41.778

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

C795-1011 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)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C795-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1011?
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What is the minimum amount of C795-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1011
  • 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 C795-1011 available by request