8013-0325 Screening compound: 5-{2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide

8013-0325 Screening compound: 5-{2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
8013-0325 Screening compound: 5-{2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0325
5-{2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide

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

8013-0325

Molecular Formula

C19H17N9O2 (C19 H17 N9 O2)

Compound Name

5-{2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide

IUPAC name

5-{2-[5-(4-methylphenyl)-2H-1234-tetrazol-2-yl]acetamido}-2-phenyl-2H-123-triazole-4-carboxamide

SMILES

Cc(cc1)ccc1-c1nn(CC(Nc2nn(-c3ccccc3)nc2C(N)=O)=O)nn1

InChI

InChI=1S/C19H17N9O2/c1-12-7-9-13(10-8-12)18-22-26-27(24-18)11-15(29)21-19-16(17(20)30)23-28(25-19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,20,30)(H,21,25,29)

InChI Key

AFNFFNVUKOLWNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.608

Distribution Coefficient, logD

1.606

Water Solubility, LogSw

-2.18

Polar Surface Area

121.293

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 8013-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0325?
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What is the minimum amount of 8013-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0325
  • 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 8013-0325 available by request