E938-0129 Screening compound: 2-[(2-chloro-4-fluorophenyl)amino]-2-phenyl-2,3-dihydro-1H-indene-1,3-dione

E938-0129 Screening compound: 2-[(2-chloro-4-fluorophenyl)amino]-2-phenyl-2,3-dihydro-1H-indene-1,3-dione
E938-0129 Screening compound: 2-[(2-chloro-4-fluorophenyl)amino]-2-phenyl-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E938-0129
2-[(2-chloro-4-fluorophenyl)amino]-2-phenyl-2,3-dihydro-1H-indene-1,3-dione

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

E938-0129

Molecular Formula

C21H13ClFNO2 (C21 H13 ClFNO2)

Compound Name

2-[(2-chloro-4-fluorophenyl)amino]-2-phenyl-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-[(2-chloro-4-fluorophenyl)amino]-2-phenyl-23-dihydro-1H-indene-13-dione

SMILES

O=C(C1(c2ccccc2)Nc(ccc(F)c2)c2Cl)c(cccc2)c2C1=O

InChI

InChI=1S/C21H13ClFNO2/c22-17-12-14(23)10-11-18(17)24-21(13-6-2-1-3-7-13)19(25)15-8-4-5-9-16(15)20(21)26/h1-12,24H

InChI Key

VPFJDSHVSFZYBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

5.269

Water Solubility, LogSw

-5.75

Polar Surface Area

36.435

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-9.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

E938-0129 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E938-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E938-0129?
Check Price and Availability of E938-0129, 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 E938-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E938-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E938-0129
  • 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 E938-0129 available by request