G891-0045 Screening compound: 2-chloro-5-methylphenyl 3-amino-1-benzothiophene-2-carboxylate

G891-0045 Screening compound: 2-chloro-5-methylphenyl 3-amino-1-benzothiophene-2-carboxylate
G891-0045 Screening compound: 2-chloro-5-methylphenyl 3-amino-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G891-0045
2-chloro-5-methylphenyl 3-amino-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

G891-0045

Molecular Formula

C16H12ClNO2S (C16 H12 ClNO2 S)

Compound Name

2-chloro-5-methylphenyl 3-amino-1-benzothiophene-2-carboxylate

IUPAC name

2-chloro-5-methylphenyl 3-amino-1-benzothiophene-2-carboxylate

SMILES

Cc(cc1)cc(OC(c(sc2c3cccc2)c3N)=O)c1Cl

InChI

InChI=1S/C16H12ClNO2S/c1-9-6-7-11(17)12(8-9)20-16(19)15-14(18)10-4-2-3-5-13(10)21-15/h2-8H,18H2,1H3

InChI Key

YNVKPMCGSANQGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15073429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.579

Distribution Coefficient, logD

4.579

Water Solubility, LogSw

-4.67

Polar Surface Area

40.836

Acid Dissociation Constant (pKa)

19.31

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

G891-0045 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G891-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G891-0045?
Check Price and Availability of G891-0045, 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 G891-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G891-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G891-0045
  • 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 G891-0045 available by request