8014-8973 Screening compound: methyl 4-(2-{[1-(2-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate

8014-8973 Screening compound: methyl 4-(2-{[1-(2-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate
8014-8973 Screening compound: methyl 4-(2-{[1-(2-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8973
methyl 4-(2-{[1-(2-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate

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

8014-8973

Molecular Formula

C17H14ClN5O3S (C17 H14 ClN5 O3 S)

Compound Name

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

IUPAC name

methyl 4-(2-{[1-(2-chlorophenyl)-1H-1234-tetrazol-5-yl]sulfanyl}acetamido)benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1nnnn1-c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C17H14ClN5O3S/c1-26-16(25)11-6-8-12(9-7-11)19-15(24)10-27-17-20-21-22-23(17)14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H,19,24)

InChI Key

AIVKGKASLLNSDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.85

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

3.402

Water Solubility, LogSw

-3.83

Polar Surface Area

83.911

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 8014-8973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8973?
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What is the minimum amount of 8014-8973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8973
  • 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 8014-8973 available by request