8020-4040 Screening compound: 2-[5-(3-chlorophenyl)-2H-1,2,3,4-tetraazol-2-yl]-N~1~-(4-methylbenzyl)acetamide

8020-4040 Screening compound: 2-[5-(3-chlorophenyl)-2H-1,2,3,4-tetraazol-2-yl]-N~1~-(4-methylbenzyl)acetamide
8020-4040 Screening compound: 2-[5-(3-chlorophenyl)-2H-1,2,3,4-tetraazol-2-yl]-N~1~-(4-methylbenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4040
2-[5-(3-chlorophenyl)-2H-1,2,3,4-tetraazol-2-yl]-N~1~-(4-methylbenzyl)acetamide

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

8020-4040

Molecular Formula

C17H16ClN5O (C17 H16 ClN5 O)

Compound Name

2-[5-(3-chlorophenyl)-2H-1,2,3,4-tetraazol-2-yl]-N~1~-(4-methylbenzyl)acetamide

IUPAC name

2-[5-(3-chlorophenyl)-2H-1234-tetrazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(Cn2nnc(-c3cccc(Cl)c3)n2)=O)cc1

InChI

InChI=1S/C17H16ClN5O/c1-12-5-7-13(8-6-12)10-19-16(24)11-23-21-17(20-22-23)14-3-2-4-15(18)9-14/h2-9H,10-11H2,1H3,(H,19,24)

InChI Key

OBYRIXIIISYWPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

3.461

Water Solubility, LogSw

-3.77

Polar Surface Area

62.813

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with 8020-4040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4040?
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What is the minimum amount of 8020-4040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4040
  • 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 8020-4040 available by request