8013-3082 Screening compound: 2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

8013-3082 Screening compound: 2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
8013-3082 Screening compound: 2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3082
2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]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

8013-3082

Molecular Formula

C19H20ClN5O3 (C19 H20 ClN5 O3)

Compound Name

2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

IUPAC name

2-[5-(2-chlorophenyl)-2H-1234-tetrazol-2-yl]-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

COc(ccc(CCNC(Cn1nnc(-c(cccc2)c2Cl)n1)=O)c1)c1OC

InChI

InChI=1S/C19H20ClN5O3/c1-27-16-8-7-13(11-17(16)28-2)9-10-21-18(26)12-25-23-19(22-24-25)14-5-3-4-6-15(14)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,26)

InChI Key

NDONMKLFTMFTQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

1.920

Water Solubility, LogSw

-3.29

Polar Surface Area

77.915

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 8013-3082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3082?
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What is the minimum amount of 8013-3082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3082
  • 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 8013-3082 available by request