G891-0030 Screening compound: 4-propoxyphenyl 3-chloro-1-benzothiophene-2-carboxylate

G891-0030 Screening compound: 4-propoxyphenyl 3-chloro-1-benzothiophene-2-carboxylate
G891-0030 Screening compound: 4-propoxyphenyl 3-chloro-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G891-0030
4-propoxyphenyl 3-chloro-1-benzothiophene-2-carboxylate

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

G891-0030

Molecular Formula

C18H15ClO3S (C18 H15 ClO3 S)

Compound Name

4-propoxyphenyl 3-chloro-1-benzothiophene-2-carboxylate

IUPAC name

4-propoxyphenyl 3-chloro-1-benzothiophene-2-carboxylate

SMILES

CCCOc(cc1)ccc1OC(c(sc1c2cccc1)c2Cl)=O

InChI

InChI=1S/C18H15ClO3S/c1-2-11-21-12-7-9-13(10-8-12)22-18(20)17-16(19)14-5-3-4-6-15(14)23-17/h3-10H,2,11H2,1H3

InChI Key

ABCNEAOWPQNMMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15073427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.949

Distribution Coefficient, logD

5.949

Water Solubility, LogSw

-6.08

Polar Surface Area

28.781

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G891-0030 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G891-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G891-0030?
Check Price and Availability of G891-0030, 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 G891-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G891-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G891-0030
  • 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 G891-0030 available by request