V029-4996 Screening compound: 4-({[5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

V029-4996 Screening compound: 4-({[5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
V029-4996 Screening compound: 4-({[5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4996
4-({[5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]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

V029-4996

Molecular Formula

C28H24F6N4OS (C28 H24 F6 N4 OS)

Compound Name

4-({[5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

IUPAC name

4-({[5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-124-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

SMILES

CC(C)c(n1-c2cc(C(F)(F)F)ccc2)nnc1SCc(cc1)ccc1C(NCc1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C28H24F6N4OS/c1-17(2)24-36-37-26(38(24)23-8-4-7-22(14-23)28(32,33)34)40-16-18-9-11-20(12-10-18)25(39)35-15-19-5-3-6-21(13-19)27(29,30)31/h3-14,17H,15-16H2,1-2H3,(H,35,39)

InChI Key

VNLRBJFYGVURFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633148

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

578.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.394

Distribution Coefficient, logD

6.393

Water Solubility, LogSw

-5.79

Polar Surface Area

49.397

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V029-4996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4996?
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What is the minimum amount of V029-4996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4996
  • 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 V029-4996 available by request