V015-1557 Screening compound: N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide

V015-1557 Screening compound: N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide
V015-1557 Screening compound: N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1557
N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide

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

V015-1557

Molecular Formula

C23H17ClN6O5S (C23 H17 ClN6 O5 S)

Compound Name

N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide

IUPAC name

N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-124-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1-n1c(SCc2ccccc2)nnc1CNC(c(cc1)cc([N+]([O-])=O)c1Cl)=O)=O

InChI

InChI=1S/C23H17ClN6O5S/c24-19-11-6-16(12-20(19)30(34)35)22(31)25-13-21-26-27-23(36-14-15-4-2-1-3-5-15)28(21)17-7-9-18(10-8-17)29(32)33/h1-12H,13-14H2,(H,25,31)

InChI Key

WVRDRJXQWBVRDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14238919

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

524.94

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

4.058

Water Solubility, LogSw

-4.52

Polar Surface Area

116.836

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with V015-1557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1557?
Check Price and Availability of V015-1557, 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 V015-1557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1557
  • 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 V015-1557 available by request