6646-0068 Screening compound: 3-{5-[(carbamoylmethyl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoic acid

6646-0068 Screening compound: 3-{5-[(carbamoylmethyl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoic acid
6646-0068 Screening compound: 3-{5-[(carbamoylmethyl)sulfanyl]-1H-1,2,3,4-tetrazol-1-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6646-0068
3-{5-[(carbamoylmethyl)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

6646-0068

Molecular Formula

C10H9N5O3S (C10 H9 N5 O3 S)

Compound Name

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

IUPAC name

3-{5-[(carbamoylmethyl)sulfanyl]-1H-1234-tetrazol-1-yl}benzoic acid

SMILES

NC(CSc1nnnn1-c1cc(C(O)=O)ccc1)=O

InChI

InChI=1S/C10H9N5O3S/c11-8(16)5-19-10-12-13-14-15(10)7-3-1-2-6(4-7)9(17)18/h1-4H,5H2,(H2,11,16)(H,17,18)

InChI Key

WUJHBPKAHRXETD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.666

Distribution Coefficient, logD

-3.452

Water Solubility, LogSw

-1.76

Polar Surface Area

101.956

Acid Dissociation Constant (pKa)

3.28

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 6646-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6646-0068?
Check Price and Availability of 6646-0068, 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 6646-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6646-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6646-0068
  • 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 6646-0068 available by request