6646-0021 Screening compound: 4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

6646-0021 Screening compound: 4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide
6646-0021 Screening compound: 4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6646-0021
4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

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

6646-0021

Molecular Formula

C16H13N5O4S (C16 H13 N5 O4 S)

Compound Name

4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

4-(5-{[2-(34-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-1234-tetrazol-1-yl)benzamide

SMILES

NC(c(cc1)ccc1-n1nnnc1SCC(c(cc1)cc(O)c1O)=O)=O

InChI

InChI=1S/C16H13N5O4S/c17-15(25)9-1-4-11(5-2-9)21-16(18-19-20-21)26-8-14(24)10-3-6-12(22)13(23)7-10/h1-7,22-23H,8H2,(H2,17,25)

InChI Key

IORNAGYAHIJMSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.999

Distribution Coefficient, logD

0.817

Water Solubility, LogSw

-2.02

Polar Surface Area

120.291

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

6646-0021 in Drug Discovery

Included in Screening Libraries

Human Phosphatases Annotated Library (206 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6646-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6646-0021?
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What is the minimum amount of 6646-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6646-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6646-0021
  • 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 6646-0021 available by request