7790-2708 Screening compound: 2-chloro-5-(5-{[2-(4-methylbenzenesulfonamido)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid

7790-2708 Screening compound: 2-chloro-5-(5-{[2-(4-methylbenzenesulfonamido)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid
7790-2708 Screening compound: 2-chloro-5-(5-{[2-(4-methylbenzenesulfonamido)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7790-2708
2-chloro-5-(5-{[2-(4-methylbenzenesulfonamido)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid

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

7790-2708

Molecular Formula

C17H16ClN5O4S2 (C17 H16 ClN5 O4 S2)

Compound Name

2-chloro-5-(5-{[2-(4-methylbenzenesulfonamido)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid

IUPAC name

2-chloro-5-(5-{[2-(4-methylbenzenesulfonamido)ethyl]sulfanyl}-1H-1234-tetrazol-1-yl)benzoic acid

SMILES

Cc(cc1)ccc1S(NCCSc1nnnn1-c(cc1)cc(C(O)=O)c1Cl)(=O)=O

InChI

InChI=1S/C17H16ClN5O4S2/c1-11-2-5-13(6-3-11)29(26,27)19-8-9-28-17-20-21-22-23(17)12-4-7-15(18)14(10-12)16(24)25/h2-7,10,19H,8-9H2,1H3,(H,24,25)

InChI Key

SHSRRVOFKKUTQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.93

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

-1.671

Water Solubility, LogSw

-3.61

Polar Surface Area

110.168

Acid Dissociation Constant (pKa)

2.36

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

7790-2708 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 7790-2708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7790-2708?
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What is the minimum amount of 7790-2708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7790-2708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7790-2708
  • 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 7790-2708 available by request