0250-0003 Screening compound: 3,4,4-trichlorobut-3-enoic acid

0250-0003 Screening compound: 3,4,4-trichlorobut-3-enoic acid
0250-0003 Screening compound: 3,4,4-trichlorobut-3-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0250-0003
3,4,4-trichlorobut-3-enoic 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

0250-0003

Molecular Formula

C4H3Cl3O2 (C4 H3 Cl3 O2)

Compound Name

3,4,4-trichlorobut-3-enoic acid

IUPAC name

344-trichlorobut-3-enoic acid

SMILES

OC(CC(Cl)=C(Cl)Cl)=O

InChI

InChI=1S/C4H3Cl3O2/c5-2(4(6)7)1-3(8)9/h1H2,(H,8,9)

InChI Key

NYJXHEBDUWGESZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00181977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

189.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.800

Distribution Coefficient, logD

-0.824

Water Solubility, LogSw

-1.94

Polar Surface Area

28.894

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0250-0003 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0250-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0250-0003?
Check Price and Availability of 0250-0003, 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 0250-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0250-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0250-0003
  • 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 0250-0003 available by request