V004-1039 Screening compound: N-(4-fluorophenyl)-3-phenyl-2-[(2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)formamido]propanamide

V004-1039 Screening compound: N-(4-fluorophenyl)-3-phenyl-2-[(2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)formamido]propanamide
V004-1039 Screening compound: N-(4-fluorophenyl)-3-phenyl-2-[(2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)formamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1039
N-(4-fluorophenyl)-3-phenyl-2-[(2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)formamido]propanamide

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

V004-1039

Molecular Formula

C26H20F4N4O2S (C26 H20 F4 N4 O2 S)

Compound Name

N-(4-fluorophenyl)-3-phenyl-2-[(2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4-yl)formamido]propanamide

IUPAC name

N-(4-fluorophenyl)-3-phenyl-2-[(2-{[3-(trifluoromethyl)phenyl]amino}-13-thiazol-4-yl)formamido]propanamide

SMILES

O=C(C(Cc1ccccc1)NC(c1csc(Nc2cc(C(F)(F)F)ccc2)n1)=O)Nc(cc1)ccc1F

InChI

InChI=1S/C26H20F4N4O2S/c27-18-9-11-19(12-10-18)31-23(35)21(13-16-5-2-1-3-6-16)33-24(36)22-15-37-25(34-22)32-20-8-4-7-17(14-20)26(28,29)30/h1-12,14-15,21H,13H2,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1

InChI Key

MGIJMEDGMXJGGK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19792721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.523

Distribution Coefficient, logD

6.523

Water Solubility, LogSw

-6.26

Polar Surface Area

66.332

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

V004-1039 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V004-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1039?
Check Price and Availability of V004-1039, 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 V004-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1039
  • 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 V004-1039 available by request