V015-2687 Screening compound: 2-(5-chloro-2-methylanilino)-N~4~-[2-(isobutylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide

V015-2687 Screening compound: 2-(5-chloro-2-methylanilino)-N~4~-[2-(isobutylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
V015-2687 Screening compound: 2-(5-chloro-2-methylanilino)-N~4~-[2-(isobutylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-2687
2-(5-chloro-2-methylanilino)-N~4~-[2-(isobutylamino)-2-oxoethyl]-1,3-thiazole-4-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

V015-2687

Molecular Formula

C17H21ClN4O2S (C17 H21 ClN4 O2 S)

Compound Name

2-(5-chloro-2-methylanilino)-N~4~-[2-(isobutylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-({2-[(5-chloro-2-methylphenyl)amino]-13-thiazol-4-yl}formamido)-N-(2-methylpropyl)acetamide

SMILES

CC(C)CNC(CNC(c1csc(Nc2c(C)ccc(Cl)c2)n1)=O)=O

InChI

InChI=1S/C17H21ClN4O2S/c1-10(2)7-19-15(23)8-20-16(24)14-9-25-17(22-14)21-13-6-12(18)5-4-11(13)3/h4-6,9-10H,7-8H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)

InChI Key

YUXQEFCDJLBHPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

4.208

Water Solubility, LogSw

-4.48

Polar Surface Area

67.656

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

V015-2687 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V015-2687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-2687?
Check Price and Availability of V015-2687, 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 V015-2687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-2687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-2687
  • 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 V015-2687 available by request