8001-8273 Screening compound: (2Z)-2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-2,3-dihydro-1-benzothiophen-3-one

8001-8273 Screening compound: (2Z)-2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-2,3-dihydro-1-benzothiophen-3-one
8001-8273 Screening compound: (2Z)-2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-2,3-dihydro-1-benzothiophen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-8273
(2Z)-2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]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

8001-8273

Molecular Formula

C19H10ClNO4S (C19 H10 ClNO4 S)

Compound Name

(2Z)-2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-2,3-dihydro-1-benzothiophen-3-one

IUPAC name

(2Z)-2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-23-dihydro-1-benzothiophen-3-one

SMILES

[O-][N+](c(cc1)cc(-c2ccc(/C=C3\Sc(cccc4)c4C3=O)o2)c1Cl)=O

InChI

InChI=1S/C19H10ClNO4S/c20-15-7-5-11(21(23)24)9-14(15)16-8-6-12(25-16)10-18-19(22)13-3-1-2-4-17(13)26-18/h1-10H

InChI Key

MWUKFNSGWRPWGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.573

Distribution Coefficient, logD

5.573

Water Solubility, LogSw

-6.05

Polar Surface Area

54.351

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8001-8273 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8001-8273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-8273?
Check Price and Availability of 8001-8273, 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 8001-8273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-8273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-8273
  • 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 8001-8273 available by request