SB94-0796 Screening compound: 1-({1-[(1-acetyl-4-piperidyl)carbonyl]-4-piperidyl}methyl)-N-(cyclopropylmethyl)-5-oxo-3-pyrrolidinecarboxamide

SB94-0796 Screening compound: 1-({1-[(1-acetyl-4-piperidyl)carbonyl]-4-piperidyl}methyl)-N-(cyclopropylmethyl)-5-oxo-3-pyrrolidinecarboxamide
SB94-0796 Screening compound: 1-({1-[(1-acetyl-4-piperidyl)carbonyl]-4-piperidyl}methyl)-N-(cyclopropylmethyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB94-0796
1-({1-[(1-acetyl-4-piperidyl)carbonyl]-4-piperidyl}methyl)-N-(cyclopropylmethyl)-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

SB94-0796

Molecular Formula

C23H36N4O4 (C23 H36 N4 O4)

Compound Name

1-({1-[(1-acetyl-4-piperidyl)carbonyl]-4-piperidyl}methyl)-N-(cyclopropylmethyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-{[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]methyl}-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide

SMILES

CC(N(CC1)CCC1C(N1CCC(CN(CC(C2)C(NCC3CC3)=O)C2=O)CC1)=O)=O

InChI

InChI=1S/C23H36N4O4/c1-16(28)25-10-6-19(7-11-25)23(31)26-8-4-18(5-9-26)14-27-15-20(12-21(27)29)22(30)24-13-17-2-3-17/h17-20H,2-15H2,1H3,(H,24,30)/t20-/m1/s1

InChI Key

VUNWVPBRXHMZOC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32249734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.281

Distribution Coefficient, logD

0.281

Water Solubility, LogSw

-0.96

Polar Surface Area

76.407

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

82.61

SB94-0796 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB94-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB94-0796?
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What is the minimum amount of SB94-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB94-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB94-0796
  • 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 SB94-0796 available by request