D398-1054 Screening compound: 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethan-1-one

D398-1054 Screening compound: 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethan-1-one
D398-1054 Screening compound: 2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-1054
2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethan-1-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

D398-1054

Molecular Formula

C18H16ClF2NO (C18 H16 ClF2 NO)

Compound Name

2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-(2-chloro-4-fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethan-1-one

SMILES

O=C(Cc(ccc(F)c1)c1Cl)N(CCC1)C1c1cc(F)ccc1

InChI

InChI=1S/C18H16ClF2NO/c19-16-11-15(21)7-6-12(16)10-18(23)22-8-2-5-17(22)13-3-1-4-14(20)9-13/h1,3-4,6-7,9,11,17H,2,5,8,10H2/t17-/m0/s1

InChI Key

OKXGLSGOJYCERL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27583529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.78

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.423

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.54

Polar Surface Area

16.148

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D398-1054 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D398-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-1054?
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What is the minimum amount of D398-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-1054
  • 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 D398-1054 available by request