K784-5731 Screening compound: 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)-N-[(thiophen-2-yl)methyl]acetamide

K784-5731 Screening compound: 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)-N-[(thiophen-2-yl)methyl]acetamide
K784-5731 Screening compound: 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5731
2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)-N-[(thiophen-2-yl)methyl]acetamide

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

K784-5731

Molecular Formula

C23H31N3O4S2 (C23 H31 N3 O4 S2)

Compound Name

2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)-N-[(thiophen-2-yl)methyl]acetamide

IUPAC name

2-({cyclopentyl[(345-trimethoxyphenyl)methyl]carbamothioyl}amino)-N-[(thiophen-2-yl)methyl]acetamide

SMILES

COc1cc(CN(C2CCCC2)C(NCC(NCc2cccs2)=O)=S)cc(OC)c1OC

InChI

InChI=1S/C23H31N3O4S2/c1-28-19-11-16(12-20(29-2)22(19)30-3)15-26(17-7-4-5-8-17)23(31)25-14-21(27)24-13-18-9-6-10-32-18/h6,9-12,17H,4-5,7-8,13-15H2,1-3H3,(H,24,27)(H,25,31)

InChI Key

ROJQTPPWFJOMQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.918

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-4.06

Polar Surface Area

59.828

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

K784-5731 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K784-5731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5731?
Check Price and Availability of K784-5731, 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 K784-5731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5731
  • 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 K784-5731 available by request