V015-2613 Screening compound: 3-(3-chloro-4-methylphenyl)-1-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]urea

V015-2613 Screening compound: 3-(3-chloro-4-methylphenyl)-1-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]urea
V015-2613 Screening compound: 3-(3-chloro-4-methylphenyl)-1-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-2613
3-(3-chloro-4-methylphenyl)-1-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-2-phenylethyl]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

V015-2613

Molecular Formula

C32H29ClFN5OS (C32 H29 ClFN5 OS)

Compound Name

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

IUPAC name

3-(3-chloro-4-methylphenyl)-1-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-124-triazol-3-yl)-2-phenylethyl]urea

SMILES

Cc(cc1)ccc1-n1c(SCc(cc2)ccc2F)nnc1C(Cc1ccccc1)NC(Nc1cc(Cl)c(C)cc1)=O

InChI

InChI=1S/C32H29ClFN5OS/c1-21-8-16-27(17-9-21)39-30(37-38-32(39)41-20-24-11-13-25(34)14-12-24)29(18-23-6-4-3-5-7-23)36-31(40)35-26-15-10-22(2)28(33)19-26/h3-17,19,29H,18,20H2,1-2H3,(H2,35,36,40)/t29-/m0/s1

InChI Key

LZYSRSYHFWMTBP-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14239124

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

586.13

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.689

Distribution Coefficient, logD

7.689

Water Solubility, LogSw

-6.39

Polar Surface Area

57.968

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.60

V015-2613 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V015-2613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-2613?
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What is the minimum amount of V015-2613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-2613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-2613
  • 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 V015-2613 available by request