V016-7351 Screening compound: 3-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1-(3,4-dimethylphenyl)urea

V016-7351 Screening compound: 3-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1-(3,4-dimethylphenyl)urea
V016-7351 Screening compound: 3-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1-(3,4-dimethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7351
3-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1-(3,4-dimethylphenyl)urea

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

V016-7351

Molecular Formula

C26H25Cl2N5OS (C26 H25 Cl2 N5 OS)

Compound Name

3-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1-(3,4-dimethylphenyl)urea

IUPAC name

3-{[4-(24-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-124-triazol-3-yl]methyl}-1-(34-dimethylphenyl)urea

SMILES

Cc(cc1)c(C)cc1NC(NCc(n1-c(ccc(Cl)c2)c2Cl)nnc1SCc1c(C)cccc1)=O

InChI

InChI=1S/C26H25Cl2N5OS/c1-16-8-10-21(12-18(16)3)30-25(34)29-14-24-31-32-26(35-15-19-7-5-4-6-17(19)2)33(24)23-11-9-20(27)13-22(23)28/h4-13H,14-15H2,1-3H3,(H2,29,30,34)

InChI Key

AIZPENCHKBYQAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14239956

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.319

Distribution Coefficient, logD

7.319

Water Solubility, LogSw

-6.32

Polar Surface Area

59.284

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V016-7351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7351?
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What is the minimum amount of V016-7351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7351
  • 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 V016-7351 available by request