K788-1490 Screening compound: 10-(2-chlorobenzyl)-N~8~-(2,3-dimethylcyclohexyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

K788-1490 Screening compound: 10-(2-chlorobenzyl)-N~8~-(2,3-dimethylcyclohexyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
K788-1490 Screening compound: 10-(2-chlorobenzyl)-N~8~-(2,3-dimethylcyclohexyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1490
10-(2-chlorobenzyl)-N~8~-(2,3-dimethylcyclohexyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-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

K788-1490

Molecular Formula

C29H29ClN2O2S (C29 H29 ClN2 O2 S)

Compound Name

10-(2-chlorobenzyl)-N~8~-(2,3-dimethylcyclohexyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(2-chlorophenyl)methyl]-N-(23-dimethylcyclohexyl)-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaene-6-carboxamide

SMILES

CC(CCC1)C(C)C1NC(c(cc1)cc(N2Cc(cccc3)c3Cl)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C29H29ClN2O2S/c1-18-8-7-12-24(19(18)2)31-28(33)20-14-15-27-25(16-20)32(17-21-9-3-5-11-23(21)30)29(34)22-10-4-6-13-26(22)35-27/h3-6,9-11,13-16,18-19,24H,7-8,12,17H2,1-2H3,(H,31,33)

InChI Key

QXIUESAKUGWTDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.08

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.753

Distribution Coefficient, logD

6.753

Water Solubility, LogSw

-6.11

Polar Surface Area

39.929

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

31.00

K788-1490 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

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

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K788-1490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1490?
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What is the minimum amount of K788-1490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1490
  • 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 K788-1490 available by request