6115-0147 Screening compound: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]propanoic acid

6115-0147 Screening compound: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]propanoic acid
6115-0147 Screening compound: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6115-0147
3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]propanoic 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

6115-0147

Molecular Formula

C7H9N3O3S (C7 H9 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc(NC(CCC(O)=O)=O)s1

InChI

InChI=1S/C7H9N3O3S/c1-4-9-10-7(14-4)8-5(11)2-3-6(12)13/h2-3H2,1H3,(H,12,13)(H,8,10,11)

InChI Key

MXAUBMXFKXGLOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

215.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.383

Distribution Coefficient, logD

-3.333

Water Solubility, LogSw

-1.27

Polar Surface Area

75.123

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

6115-0147 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 6115-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6115-0147?
Check Price and Availability of 6115-0147, 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 6115-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6115-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6115-0147
  • 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 6115-0147 available by request