V031-3413 Screening compound: 2-[(3,4-difluorobenzoyl)amino]-N-(3,4-dimethoxyphenethyl)-1,3-thiazole-4-carboxamide

V031-3413 Screening compound: 2-[(3,4-difluorobenzoyl)amino]-N-(3,4-dimethoxyphenethyl)-1,3-thiazole-4-carboxamide
V031-3413 Screening compound: 2-[(3,4-difluorobenzoyl)amino]-N-(3,4-dimethoxyphenethyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-3413
2-[(3,4-difluorobenzoyl)amino]-N-(3,4-dimethoxyphenethyl)-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

V031-3413

Molecular Formula

C21H19F2N3O4S (C21 H19 F2 N3 O4 S)

Compound Name

2-[(3,4-difluorobenzoyl)amino]-N-(3,4-dimethoxyphenethyl)-1,3-thiazole-4-carboxamide

IUPAC name

2-(34-difluorobenzamido)-N-[2-(34-dimethoxyphenyl)ethyl]-13-thiazole-4-carboxamide

SMILES

COc(ccc(CCNC(c1csc(NC(c(cc2)cc(F)c2F)=O)n1)=O)c1)c1OC

InChI

InChI=1S/C21H19F2N3O4S/c1-29-17-6-3-12(9-18(17)30-2)7-8-24-20(28)16-11-31-21(25-16)26-19(27)13-4-5-14(22)15(23)10-13/h3-6,9-11H,7-8H2,1-2H3,(H,24,28)(H,25,26,27)

InChI Key

ORZYKTZFPAGABW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27634275

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.419

Distribution Coefficient, logD

1.744

Water Solubility, LogSw

-3.92

Polar Surface Area

72.892

Acid Dissociation Constant (pKa)

5.73

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

V031-3413 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with V031-3413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-3413?
Check Price and Availability of V031-3413, 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 V031-3413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-3413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-3413
  • 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 V031-3413 available by request