8431-0277 Screening compound: 2-bromo-4-(methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate

8431-0277 Screening compound: 2-bromo-4-(methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate
8431-0277 Screening compound: 2-bromo-4-(methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8431-0277
2-bromo-4-(methoxycarbonyl)phenyl 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

8431-0277

Molecular Formula

C17H10BrClO4S (C17 H10 BrClO4 S)

Compound Name

2-bromo-4-(methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate

IUPAC name

2-bromo-4-(methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate

SMILES

COC(c(cc1)cc(Br)c1OC(c(sc1c2cccc1)c2Cl)=O)=O

InChI

InChI=1S/C17H10BrClO4S/c1-22-16(20)9-6-7-12(11(18)8-9)23-17(21)15-14(19)10-4-2-3-5-13(10)24-15/h2-8H,1H3

InChI Key

ZRFDZJBTZSCRBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07142430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.699

Distribution Coefficient, logD

5.699

Water Solubility, LogSw

-6.18

Polar Surface Area

42.624

Acid Dissociation Constant (pKa)

33.46

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8431-0277 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8431-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8431-0277?
Check Price and Availability of 8431-0277, 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 8431-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8431-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8431-0277
  • 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 8431-0277 available by request