8013-1736 Screening compound: 4-(3,4-dichloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid

8013-1736 Screening compound: 4-(3,4-dichloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid
8013-1736 Screening compound: 4-(3,4-dichloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1736
4-(3,4-dichloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic 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

8013-1736

Molecular Formula

C14H15Cl2NO4 (C14 H15 Cl2 NO4)

Compound Name

4-(3,4-dichloroanilino)-4-oxo-3-tetrahydro-2-furanylbutanoic acid

IUPAC name

3-[(34-dichlorophenyl)carbamoyl]-3-(oxolan-2-yl)propanoic acid

SMILES

OC(CC(C1OCCC1)C(Nc(cc1)cc(Cl)c1Cl)=O)=O

InChI

InChI=1S/C14H15Cl2NO4/c15-10-4-3-8(6-11(10)16)17-14(20)9(7-13(18)19)12-2-1-5-21-12/h3-4,6,9,12H,1-2,5,7H2,(H,17,20)(H,18,19)

InChI Key

DEVKFZDTYBKBAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.472

Distribution Coefficient, logD

-0.272

Water Solubility, LogSw

-2.96

Polar Surface Area

60.125

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

8013-1736 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 8013-1736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1736?
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What is the minimum amount of 8013-1736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1736
  • 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 8013-1736 available by request