2144-1002 Screening compound: (2Z)-2-{[2-(benzyloxy)-3,5-dibromophenyl]methylidene}-2,3-dihydro-1-benzothiophen-3-one

2144-1002 Screening compound: (2Z)-2-{[2-(benzyloxy)-3,5-dibromophenyl]methylidene}-2,3-dihydro-1-benzothiophen-3-one
2144-1002 Screening compound: (2Z)-2-{[2-(benzyloxy)-3,5-dibromophenyl]methylidene}-2,3-dihydro-1-benzothiophen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2144-1002
(2Z)-2-{[2-(benzyloxy)-3,5-dibromophenyl]methylidene}-2,3-dihydro-1-benzothiophen-3-one

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

2144-1002

Molecular Formula

C22H14Br2O2S (C22 H14 Br2 O2 S)

Compound Name

(2Z)-2-{[2-(benzyloxy)-3,5-dibromophenyl]methylidene}-2,3-dihydro-1-benzothiophen-3-one

IUPAC name

(2Z)-2-{[2-(benzyloxy)-35-dibromophenyl]methylidene}-23-dihydro-1-benzothiophen-3-one

SMILES

O=C1c(cccc2)c2S/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1

InChI

InChI=1S/C22H14Br2O2S/c23-16-10-15(11-20-21(25)17-8-4-5-9-19(17)27-20)22(18(24)12-16)26-13-14-6-2-1-3-7-14/h1-12H,13H2

InChI Key

COVJNIKCGLIOLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.185

Distribution Coefficient, logD

7.185

Water Solubility, LogSw

-6.22

Polar Surface Area

20.801

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 2144-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2144-1002?
Check Price and Availability of 2144-1002, 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 2144-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2144-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2144-1002
  • 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 2144-1002 available by request