V024-5422 Screening compound: N-(4-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)furan-2-carboxamide

V024-5422 Screening compound: N-(4-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)furan-2-carboxamide
V024-5422 Screening compound: N-(4-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-5422
N-(4-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)furan-2-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

V024-5422

Molecular Formula

C21H15F3N4O3 (C21 H15 F3 N4 O3)

Compound Name

N-(4-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)furan-2-carboxamide

IUPAC name

N-(4-{3-methoxy-5-[4-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl}phenyl)furan-2-carboxamide

SMILES

COc(nc1-c2ccc(C(F)(F)F)cc2)nn1-c(cc1)ccc1NC(c1ccco1)=O

InChI

InChI=1S/C21H15F3N4O3/c1-30-20-26-18(13-4-6-14(7-5-13)21(22,23)24)28(27-20)16-10-8-15(9-11-16)25-19(29)17-3-2-12-31-17/h2-12H,1H3,(H,25,29)

InChI Key

MRRUMOURSIZHLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19749939

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.857

Distribution Coefficient, logD

4.857

Water Solubility, LogSw

-4.69

Polar Surface Area

62.903

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V024-5422 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V024-5422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-5422?
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What is the minimum amount of V024-5422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-5422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-5422
  • 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 V024-5422 available by request