8016-2185 Screening compound: methyl 2-{2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-4,5-dimethoxybenzoate

8016-2185 Screening compound: methyl 2-{2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-4,5-dimethoxybenzoate
8016-2185 Screening compound: methyl 2-{2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-4,5-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2185
methyl 2-{2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-4,5-dimethoxybenzoate

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

8016-2185

Molecular Formula

C19H18ClN5O5 (C19 H18 ClN5 O5)

Compound Name

methyl 2-{2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamido}-4,5-dimethoxybenzoate

IUPAC name

methyl 2-{2-[5-(2-chlorophenyl)-2H-1234-tetrazol-2-yl]acetamido}-45-dimethoxybenzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1NC(Cn1nnc(-c(cccc2)c2Cl)n1)=O)=O

InChI

InChI=1S/C19H18ClN5O5/c1-28-15-8-12(19(27)30-3)14(9-16(15)29-2)21-17(26)10-25-23-18(22-24-25)11-6-4-5-7-13(11)20/h4-9H,10H2,1-3H3,(H,21,26)

InChI Key

ZGEBMQLGBQPFIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.84

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.450

Distribution Coefficient, logD

2.323

Water Solubility, LogSw

-3.46

Polar Surface Area

97.228

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8016-2185 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8016-2185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2185?
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What is the minimum amount of 8016-2185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2185
  • 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 8016-2185 available by request