1187-0607 Screening compound: 3-bromo-5-methoxy-1-benzothiophene-2-carboxylic acid

1187-0607 Screening compound: 3-bromo-5-methoxy-1-benzothiophene-2-carboxylic acid
1187-0607 Screening compound: 3-bromo-5-methoxy-1-benzothiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-0607
3-bromo-5-methoxy-1-benzothiophene-2-carboxylic 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

1187-0607

Molecular Formula

C10H7BrO3S (C10 H7 BrO3 S)

Compound Name

3-bromo-5-methoxy-1-benzothiophene-2-carboxylic acid

IUPAC name

3-bromo-5-methoxy-1-benzothiophene-2-carboxylic acid

SMILES

COc(cc1)cc2c1sc(C(O)=O)c2Br

InChI

InChI=1S/C10H7BrO3S/c1-14-5-2-3-7-6(4-5)8(11)9(15-7)10(12)13/h2-4H,1H3,(H,12,13)

InChI Key

DCUNVSRVSROHQY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.13

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

-1.652

Water Solubility, LogSw

-3.06

Polar Surface Area

36.937

Acid Dissociation Constant (pKa)

2.72

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 1187-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-0607?
Check Price and Availability of 1187-0607, 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 1187-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-0607
  • 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 1187-0607 available by request