V015-1500 Screening compound: 1-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3-(3-chloro-4-fluorophenyl)urea

V015-1500 Screening compound: 1-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3-(3-chloro-4-fluorophenyl)urea
V015-1500 Screening compound: 1-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3-(3-chloro-4-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1500
1-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3-(3-chloro-4-fluorophenyl)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

V015-1500

Molecular Formula

C31H27ClFN5OS (C31 H27 ClFN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1c(SCc2ccccc2)nnc1C(Cc1ccccc1)NC(Nc(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C31H27ClFN5OS/c1-21-12-15-25(16-13-21)38-29(36-37-31(38)40-20-23-10-6-3-7-11-23)28(18-22-8-4-2-5-9-22)35-30(39)34-24-14-17-27(33)26(32)19-24/h2-17,19,28H,18,20H2,1H3,(H2,34,35,39)/t28-/m0/s1

InChI Key

NZKSTXIEDDUDMP-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14239104

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

572.11

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

7.000

Distribution Coefficient, logD

6.999

Water Solubility, LogSw

-6.32

Polar Surface Area

57.968

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with V015-1500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1500?
Check Price and Availability of V015-1500, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V015-1500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1500
  • 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 V015-1500 available by request