SB94-0026 Screening compound: N-cyclopropyl-1-{[1-(2,4-difluorobenzoyl)-4-piperidyl]methyl}-5-oxo-3-pyrrolidinecarboxamide

SB94-0026 Screening compound: N-cyclopropyl-1-{[1-(2,4-difluorobenzoyl)-4-piperidyl]methyl}-5-oxo-3-pyrrolidinecarboxamide
SB94-0026 Screening compound: N-cyclopropyl-1-{[1-(2,4-difluorobenzoyl)-4-piperidyl]methyl}-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB94-0026
N-cyclopropyl-1-{[1-(2,4-difluorobenzoyl)-4-piperidyl]methyl}-5-oxo-3-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

SB94-0026

Molecular Formula

C21H25F2N3O3 (C21 H25 F2 N3 O3)

Compound Name

N-cyclopropyl-1-{[1-(2,4-difluorobenzoyl)-4-piperidyl]methyl}-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-cyclopropyl-1-{[1-(24-difluorobenzoyl)piperidin-4-yl]methyl}-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(CC(CC2)CCN2C(c(ccc(F)c2)c2F)=O)C1=O)NC1CC1

InChI

InChI=1S/C21H25F2N3O3/c22-15-1-4-17(18(23)10-15)21(29)25-7-5-13(6-8-25)11-26-12-14(9-19(26)27)20(28)24-16-2-3-16/h1,4,10,13-14,16H,2-3,5-9,11-12H2,(H,24,28)/t14-/m1/s1

InChI Key

WRZPKIBMPGPBJO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32250034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.426

Distribution Coefficient, logD

1.426

Water Solubility, LogSw

-2.17

Polar Surface Area

58.552

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SB94-0026 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB94-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB94-0026?
Check Price and Availability of SB94-0026, 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 SB94-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB94-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB94-0026
  • 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 SB94-0026 available by request