5461-0032 Screening compound: 2-hydroxy-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid

5461-0032 Screening compound: 2-hydroxy-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid
5461-0032 Screening compound: 2-hydroxy-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5461-0032
2-hydroxy-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}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

5461-0032

Molecular Formula

C16H13N5O4S (C16 H13 N5 O4 S)

Compound Name

2-hydroxy-5-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid

IUPAC name

2-hydroxy-5-{2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid

SMILES

OC(c(cc(cc1)NC(CSc2nnnn2-c2ccccc2)=O)c1O)=O

InChI

InChI=1S/C16H13N5O4S/c22-13-7-6-10(8-12(13)15(24)25)17-14(23)9-26-16-18-19-20-21(16)11-4-2-1-3-5-11/h1-8,22H,9H2,(H,17,23)(H,24,25)

InChI Key

BCKYLDBSEKEPIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03603464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.110

Distribution Coefficient, logD

-0.411

Water Solubility, LogSw

-3.42

Polar Surface Area

107.994

Acid Dissociation Constant (pKa)

3.88

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

5461-0032 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5461-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5461-0032?
Check Price and Availability of 5461-0032, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5461-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5461-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5461-0032
  • 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 5461-0032 available by request