K788-8347 Screening compound: 10-(3-chlorobenzyl)-8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione

K788-8347 Screening compound: 10-(3-chlorobenzyl)-8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
K788-8347 Screening compound: 10-(3-chlorobenzyl)-8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8347
10-(3-chlorobenzyl)-8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione

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

K788-8347

Molecular Formula

C33H30ClN3O3S (C33 H30 ClN3 O3 S)

Compound Name

10-(3-chlorobenzyl)-8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione

IUPAC name

9-[(3-chlorophenyl)methyl]-6-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-210-dione

SMILES

Cc1cc(N(CC2)CCN2C(c(cc2)cc(N(Cc3cccc(Cl)c3)C(c3c4cccc3)=O)c2S4=O)=O)c(C)cc1

InChI

InChI=1S/C33H32ClN3O3S/c1-22-10-11-23(2)28(18-22)35-14-16-36(17-15-35)32(38)25-12-13-31-29(20-25)37(21-24-6-5-7-26(34)19-24)33(39)27-8-3-4-9-30(27)41(31)40/h3-13,18-20H,14-17,21,41H2,1-2H3

InChI Key

AMEQBWCJURPYNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.14

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.885

Distribution Coefficient, logD

5.885

Water Solubility, LogSw

-5.78

Polar Surface Area

50.392

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.20

K788-8347 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K788-8347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8347?
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What is the minimum amount of K788-8347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8347
  • 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 K788-8347 available by request