SB94-0039 Screening compound: N-cyclopropyl-1-({1-[(3,4-difluorophenyl)sulfonyl]-4-piperidyl}methyl)-5-oxo-3-pyrrolidinecarboxamide

SB94-0039 Screening compound: N-cyclopropyl-1-({1-[(3,4-difluorophenyl)sulfonyl]-4-piperidyl}methyl)-5-oxo-3-pyrrolidinecarboxamide
SB94-0039 Screening compound: N-cyclopropyl-1-({1-[(3,4-difluorophenyl)sulfonyl]-4-piperidyl}methyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB94-0039
N-cyclopropyl-1-({1-[(3,4-difluorophenyl)sulfonyl]-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

SB94-0039

Molecular Formula

C20H25F2N3O4S (C20 H25 F2 N3 O4 S)

Compound Name

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

IUPAC name

N-cyclopropyl-1-{[1-(34-difluorobenzenesulfonyl)piperidin-4-yl]methyl}-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(CC(CC2)CCN2S(c(cc2)cc(F)c2F)(=O)=O)C1=O)NC1CC1

InChI

InChI=1S/C20H25F2N3O4S/c21-17-4-3-16(10-18(17)22)30(28,29)25-7-5-13(6-8-25)11-24-12-14(9-19(24)26)20(27)23-15-1-2-15/h3-4,10,13-15H,1-2,5-9,11-12H2,(H,23,27)/t14-/m1/s1

InChI Key

PQZKBNBAYAPIJX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32250118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.662

Distribution Coefficient, logD

1.662

Water Solubility, LogSw

-2.67

Polar Surface Area

73.615

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with SB94-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB94-0039?
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What is the minimum amount of SB94-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB94-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB94-0039
  • 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 SB94-0039 available by request