3366-0062 Screening compound: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid

3366-0062 Screening compound: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
3366-0062 Screening compound: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-0062
3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]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

3366-0062

Molecular Formula

C11H9N3O3S (C11 H9 N3 O3 S)

Compound Name

3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid

IUPAC name

3-[(5-methyl-134-thiadiazol-2-yl)carbamoyl]benzoic acid

SMILES

Cc1nnc(NC(c2cc(C(O)=O)ccc2)=O)s1

InChI

InChI=1S/C11H9N3O3S/c1-6-13-14-11(18-6)12-9(15)7-3-2-4-8(5-7)10(16)17/h2-5H,1H3,(H,16,17)(H,12,14,15)

InChI Key

DCBMFIFONSAROS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01993729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.832

Distribution Coefficient, logD

-1.929

Water Solubility, LogSw

-2.41

Polar Surface Area

75.089

Acid Dissociation Constant (pKa)

3.64

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

3366-0062 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3366-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-0062?
Check Price and Availability of 3366-0062, 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 3366-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-0062
  • 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 3366-0062 available by request