8017-3938 Screening compound: 1-acetyl-N~2~-(4-fluorophenyl)-2-pyrrolidinecarboxamide

8017-3938 Screening compound: 1-acetyl-N~2~-(4-fluorophenyl)-2-pyrrolidinecarboxamide
8017-3938 Screening compound: 1-acetyl-N~2~-(4-fluorophenyl)-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3938
1-acetyl-N~2~-(4-fluorophenyl)-2-pyrrolidinecarboxamide

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

8017-3938

Molecular Formula

C13H15FN2O2 (C13 H15 FN2 O2)

Compound Name

1-acetyl-N~2~-(4-fluorophenyl)-2-pyrrolidinecarboxamide

IUPAC name

1-acetyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide

SMILES

CC(N(CCC1)C1C(Nc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C13H15FN2O2/c1-9(17)16-8-2-3-12(16)13(18)15-11-6-4-10(14)5-7-11/h4-7,12H,2-3,8H2,1H3,(H,15,18)

InChI Key

MDLOJMASXZWORL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.955

Distribution Coefficient, logD

0.954

Water Solubility, LogSw

-1.80

Polar Surface Area

40.777

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

8017-3938 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-3938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3938?
Check Price and Availability of 8017-3938, 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 8017-3938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3938
  • 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 8017-3938 available by request