2729-0430 Screening compound: [(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]amino acetate

2729-0430 Screening compound: [(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]amino acetate
2729-0430 Screening compound: [(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]amino acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0430
[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]amino 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

2729-0430

Molecular Formula

C10H7NO3S (C10 H7 NO3 S)

Compound Name

[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]amino acetate

IUPAC name

[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]amino acetate

SMILES

CC(O/N=C1\Sc(cccc2)c2C1=O)=O

InChI

InChI=1S/C10H7NO3S/c1-6(12)14-11-10-9(13)7-4-2-3-5-8(7)15-10/h2-5H,1H3

InChI Key

LHGWAWQMKZPWEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.419

Distribution Coefficient, logD

1.419

Water Solubility, LogSw

-2.28

Polar Surface Area

45.640

Acid Dissociation Constant (pKa)

24.03

Base Dissociation Constant (pKb)

-7.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2729-0430 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 2729-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0430?
Check Price and Availability of 2729-0430, 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 2729-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0430
  • 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 2729-0430 available by request