8011-6607 Screening compound: 5-amino-1-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

8011-6607 Screening compound: 5-amino-1-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
8011-6607 Screening compound: 5-amino-1-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6607
5-amino-1-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-1H-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

8011-6607

Molecular Formula

C15H14ClN5O2 (C15 H14 ClN5 O2)

Compound Name

5-amino-1-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-1-[(4-chlorophenyl)methyl]-N-[(furan-2-yl)methyl]-1H-123-triazole-4-carboxamide

SMILES

Nc1c(C(NCc2ccco2)=O)nnn1Cc(cc1)ccc1Cl

InChI

InChI=1S/C15H14ClN5O2/c16-11-5-3-10(4-6-11)9-21-14(17)13(19-20-21)15(22)18-8-12-2-1-7-23-12/h1-7H,8-9,17H2,(H,18,22)

InChI Key

DXKTYSDRMVSDRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.004

Distribution Coefficient, logD

2.004

Water Solubility, LogSw

-2.79

Polar Surface Area

78.358

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8011-6607 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-6607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6607?
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What is the minimum amount of 8011-6607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6607
  • 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 8011-6607 available by request