6646-0019 Screening compound: 4-({[1-(4-carbamoylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)benzoic acid

6646-0019 Screening compound: 4-({[1-(4-carbamoylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)benzoic acid
6646-0019 Screening compound: 4-({[1-(4-carbamoylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6646-0019
4-({[1-(4-carbamoylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)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

6646-0019

Molecular Formula

C16H13N5O3S (C16 H13 N5 O3 S)

Compound Name

4-({[1-(4-carbamoylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)benzoic acid

IUPAC name

4-({[1-(4-carbamoylphenyl)-1H-1234-tetrazol-5-yl]sulfanyl}methyl)benzoic acid

SMILES

NC(c(cc1)ccc1-n1nnnc1SCc(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C16H13N5O3S/c17-14(22)11-5-7-13(8-6-11)21-16(18-19-20-21)25-9-10-1-3-12(4-2-10)15(23)24/h1-8H,9H2,(H2,17,22)(H,23,24)

InChI Key

QBPFMFRNLVTZFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.714

Distribution Coefficient, logD

-1.258

Water Solubility, LogSw

-2.15

Polar Surface Area

102.356

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 6646-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6646-0019?
Check Price and Availability of 6646-0019, 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 6646-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6646-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6646-0019
  • 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 6646-0019 available by request