V025-4430 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V025-4430 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V025-4430 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-4430
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

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

V025-4430

Molecular Formula

C28H21FN4O4S (C28 H21 FN4 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

O=C(c1ccc(CSc2nnc(-c3ccco3)n2-c(cccc2)c2F)cc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H21FN4O4S/c29-21-4-1-2-5-22(21)33-26(24-6-3-13-35-24)31-32-28(33)38-16-18-7-10-20(11-8-18)27(34)30-15-19-9-12-23-25(14-19)37-17-36-23/h1-14H,15-17H2,(H,30,34)

InChI Key

GBEOCGROMAOASS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785822

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

528.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.425

Distribution Coefficient, logD

4.425

Water Solubility, LogSw

-4.45

Polar Surface Area

74.519

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with V025-4430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-4430?
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What is the minimum amount of V025-4430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-4430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-4430
  • 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 V025-4430 available by request