5604-0049 Screening compound: 4-[(1,3,4-thiadiazol-2-yl)carbamoyl]butanoic acid

5604-0049 Screening compound: 4-[(1,3,4-thiadiazol-2-yl)carbamoyl]butanoic acid
5604-0049 Screening compound: 4-[(1,3,4-thiadiazol-2-yl)carbamoyl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5604-0049
4-[(1,3,4-thiadiazol-2-yl)carbamoyl]butanoic 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

5604-0049

Molecular Formula

C7H9N3O3S (C7 H9 N3 O3 S)

Compound Name

4-[(1,3,4-thiadiazol-2-yl)carbamoyl]butanoic acid

IUPAC name

4-[(134-thiadiazol-2-yl)carbamoyl]butanoic acid

SMILES

OC(CCCC(Nc1nncs1)=O)=O

InChI

InChI=1S/C7H9N3O3S/c11-5(2-1-3-6(12)13)9-7-10-8-4-14-7/h4H,1-3H2,(H,12,13)(H,9,10,11)

InChI Key

KQBDWVKXBXRZIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00456537

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.666

Distribution Coefficient, logD

-3.263

Water Solubility, LogSw

-1.52

Polar Surface Area

75.347

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

5604-0049 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5604-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5604-0049?
Check Price and Availability of 5604-0049, 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 5604-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5604-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5604-0049
  • 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 5604-0049 available by request