V006-5357 Screening compound: N-(butan-2-yl)-2-({2-[(3-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-3-phenylpropanamide

V006-5357 Screening compound: N-(butan-2-yl)-2-({2-[(3-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-3-phenylpropanamide
V006-5357 Screening compound: N-(butan-2-yl)-2-({2-[(3-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5357
N-(butan-2-yl)-2-({2-[(3-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-3-phenylpropanamide

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

V006-5357

Molecular Formula

C24H28N4O3S (C24 H28 N4 O3 S)

Compound Name

N-(butan-2-yl)-2-({2-[(3-methoxyphenyl)amino]-1,3-thiazol-4-yl}formamido)-3-phenylpropanamide

IUPAC name

N-(butan-2-yl)-2-({2-[(3-methoxyphenyl)amino]-13-thiazol-4-yl}formamido)-3-phenylpropanamide

SMILES

CCC(C)NC(C(Cc1ccccc1)NC(c1csc(Nc2cc(OC)ccc2)n1)=O)=O

InChI

InChI=1S/C24H28N4O3S/c1-4-16(2)25-22(29)20(13-17-9-6-5-7-10-17)27-23(30)21-15-32-24(28-21)26-18-11-8-12-19(14-18)31-3/h5-12,14-16,20H,4,13H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)

InChI Key

CSXJTCFDKQVFSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

5.013

Water Solubility, LogSw

-4.67

Polar Surface Area

74.911

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.20

V006-5357 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V006-5357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5357?
Check Price and Availability of V006-5357, 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 V006-5357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5357
  • 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 V006-5357 available by request