D398-0670 Screening compound: 2-(2-chloro-4-fluorophenyl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]ethan-1-one

D398-0670 Screening compound: 2-(2-chloro-4-fluorophenyl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]ethan-1-one
D398-0670 Screening compound: 2-(2-chloro-4-fluorophenyl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0670
2-(2-chloro-4-fluorophenyl)-1-[2-(furan-2-yl)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

D398-0670

Molecular Formula

C16H15ClFNO2 (C16 H15 ClFNO2)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc(ccc(F)c1)c1Cl)N(CCC1)C1c1ccco1

InChI

InChI=1S/C16H15ClFNO2/c17-13-10-12(18)6-5-11(13)9-16(20)19-7-1-3-14(19)15-4-2-8-21-15/h2,4-6,8,10,14H,1,3,7,9H2/t14-/m0/s1

InChI Key

GAYIKTCSTKQDAJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14826443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.75

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.560

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-3.72

Polar Surface Area

24.726

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

D398-0670 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D398-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0670?
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What is the minimum amount of D398-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0670
  • 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 D398-0670 available by request