4327-3043 Screening compound: 3-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoic acid

4327-3043 Screening compound: 3-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoic acid
4327-3043 Screening compound: 3-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-3043
3-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)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

4327-3043

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

3-({1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)propanoic acid

IUPAC name

3-({1-[2-(4-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}sulfanyl)propanoic acid

SMILES

Cc(cc1)ccc1OCCn1c(SCCC(O)=O)nc2c1cccc2

InChI

InChI=1S/C19H20N2O3S/c1-14-6-8-15(9-7-14)24-12-11-21-17-5-3-2-4-16(17)20-19(21)25-13-10-18(22)23/h2-9H,10-13H2,1H3,(H,22,23)

InChI Key

KGCGDYADLNUQIH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.192

Distribution Coefficient, logD

1.496

Water Solubility, LogSw

-4.05

Polar Surface Area

46.529

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 4327-3043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-3043?
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What is the minimum amount of 4327-3043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-3043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-3043
  • 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 4327-3043 available by request