V015-1463 Screening compound: ethyl 4-[({1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}carbamoyl)amino]benzoate

V015-1463 Screening compound: ethyl 4-[({1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}carbamoyl)amino]benzoate
V015-1463 Screening compound: ethyl 4-[({1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1463
ethyl 4-[({1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}carbamoyl)amino]benzoate

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

V015-1463

Molecular Formula

C34H33N5O3S (C34 H33 N5 O3 S)

Compound Name

ethyl 4-[({1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}carbamoyl)amino]benzoate

IUPAC name

ethyl 4-[({1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-124-triazol-3-yl]-2-phenylethyl}carbamoyl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC(NC(Cc1ccccc1)c(n1-c2ccc(C)cc2)nnc1SCc1ccccc1)=O)=O

InChI

InChI=1S/C34H33N5O3S/c1-3-42-32(40)27-16-18-28(19-17-27)35-33(41)36-30(22-25-10-6-4-7-11-25)31-37-38-34(43-23-26-12-8-5-9-13-26)39(31)29-20-14-24(2)15-21-29/h4-21,30H,3,22-23H2,1-2H3,(H2,35,36,41)/t30-/m0/s1

InChI Key

ZYKPJXQFGAZOLN-PMERELPUSA-N

MDL Number (MFCD)

MFCD14239096

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

591.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.871

Distribution Coefficient, logD

6.871

Water Solubility, LogSw

-5.74

Polar Surface Area

78.722

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

V015-1463 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-1463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1463?
Check Price and Availability of V015-1463, 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 V015-1463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1463
  • 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 V015-1463 available by request