3237-0090 Screening compound: 4-bromo-2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl acetate

3237-0090 Screening compound: 4-bromo-2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl acetate
3237-0090 Screening compound: 4-bromo-2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0090
4-bromo-2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl acetate

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

3237-0090

Molecular Formula

C17H11BrO3S (C17 H11 BrO3 S)

Compound Name

4-bromo-2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl acetate

IUPAC name

4-bromo-2-{[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl acetate

SMILES

CC(Oc(cc1)c(/C=C2\Sc(cccc3)c3C2=O)cc1Br)=O

InChI

InChI=1S/C17H11BrO3S/c1-10(19)21-14-7-6-12(18)8-11(14)9-16-17(20)13-4-2-3-5-15(13)22-16/h2-9H,1H3

InChI Key

VIWROVXLPCWBJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01947796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.57

Polar Surface Area

34.238

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 3237-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0090?
Check Price and Availability of 3237-0090, 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 3237-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0090
  • 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 3237-0090 available by request