K784-5738 Screening compound: 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)-N-cyclopropylacetamide

K784-5738 Screening compound: 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)-N-cyclopropylacetamide
K784-5738 Screening compound: 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5738
2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)-N-cyclopropylacetamide

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

K784-5738

Molecular Formula

C21H31N3O4S (C21 H31 N3 O4 S)

Compound Name

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

IUPAC name

2-({cyclopentyl[(345-trimethoxyphenyl)methyl]carbamothioyl}amino)-N-cyclopropylacetamide

SMILES

COc1cc(CN(C2CCCC2)C(NCC(NC2CC2)=O)=S)cc(OC)c1OC

InChI

InChI=1S/C21H31N3O4S/c1-26-17-10-14(11-18(27-2)20(17)28-3)13-24(16-6-4-5-7-16)21(29)22-12-19(25)23-15-8-9-15/h10-11,15-16H,4-9,12-13H2,1-3H3,(H,22,29)(H,23,25)

InChI Key

ZNJMKBIJENBETE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.868

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-3.29

Polar Surface Area

58.866

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

K784-5738 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-5738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5738?
Check Price and Availability of K784-5738, 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 K784-5738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5738
  • 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 K784-5738 available by request