V027-8472 Screening compound: N-butyl-1-cyclopropanecarbonyl-4-(3-fluorophenyl)pyrrolidine-3-carboxamide

V027-8472 Screening compound: N-butyl-1-cyclopropanecarbonyl-4-(3-fluorophenyl)pyrrolidine-3-carboxamide
V027-8472 Screening compound: N-butyl-1-cyclopropanecarbonyl-4-(3-fluorophenyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8472
N-butyl-1-cyclopropanecarbonyl-4-(3-fluorophenyl)pyrrolidine-3-carboxamide

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

V027-8472

Molecular Formula

C19H25FN2O2 (C19 H25 FN2 O2)

Compound Name

N-butyl-1-cyclopropanecarbonyl-4-(3-fluorophenyl)pyrrolidine-3-carboxamide

IUPAC name

N-butyl-1-cyclopropanecarbonyl-4-(3-fluorophenyl)pyrrolidine-3-carboxamide

SMILES

CCCCNC(C(CN(C1)C(C2CC2)=O)C1c1cccc(F)c1)=O

InChI

InChI=1S/C19H25FN2O2/c1-2-3-9-21-18(23)17-12-22(19(24)13-7-8-13)11-16(17)14-5-4-6-15(20)10-14/h4-6,10,13,16-17H,2-3,7-9,11-12H2,1H3,(H,21,23)

InChI Key

NLUKFWLMRMWQMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19826569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.998

Distribution Coefficient, logD

2.998

Water Solubility, LogSw

-3.21

Polar Surface Area

41.898

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

V027-8472 in Drug Discovery

Included in Screening Libraries

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

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-8472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8472?
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What is the minimum amount of V027-8472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8472
  • 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 V027-8472 available by request