V029-3828 Screening compound: 2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

V029-3828 Screening compound: 2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
V029-3828 Screening compound: 2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3828
2-({[4-ethyl-5-(thiophen-2-yl)-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

V029-3828

Molecular Formula

C24H21F3N4OS2 (C24 H21 F3 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCc(cccc2)c2C(NCc2cc(C(F)(F)F)ccc2)=O)nnc1-c1cccs1

InChI

InChI=1S/C24H21F3N4OS2/c1-2-31-21(20-11-6-12-33-20)29-30-23(31)34-15-17-8-3-4-10-19(17)22(32)28-14-16-7-5-9-18(13-16)24(25,26)27/h3-13H,2,14-15H2,1H3,(H,28,32)

InChI Key

LMEJFSQXHKEZRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633057

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.977

Distribution Coefficient, logD

5.976

Water Solubility, LogSw

-5.62

Polar Surface Area

49.397

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with V029-3828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3828?
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What is the minimum amount of V029-3828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3828
  • 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 V029-3828 available by request