4327-3069 Screening compound: 3-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoic acid

4327-3069 Screening compound: 3-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoic acid
4327-3069 Screening compound: 3-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-3069
3-(1H-1,3-benzodiazol-2-ylsulfanyl)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

4327-3069

Molecular Formula

C10H10N2O2S (C10 H10 N2 O2 S)

Compound Name

3-(1H-1,3-benzodiazol-2-ylsulfanyl)propanoic acid

IUPAC name

3-(1H-13-benzodiazol-2-ylsulfanyl)propanoic acid

SMILES

OC(CCSc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C10H10N2O2S/c13-9(14)5-6-15-10-11-7-3-1-2-4-8(7)12-10/h1-4H,5-6H2,(H,11,12)(H,13,14)

InChI Key

LUFHFCKOUJEWSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01002861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.284

Distribution Coefficient, logD

-1.411

Water Solubility, LogSw

-2.08

Polar Surface Area

46.635

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4327-3069 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4327-3069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-3069?
Check Price and Availability of 4327-3069, 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 4327-3069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-3069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-3069
  • 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 4327-3069 available by request