S922-0081 Screening compound: N,N-dimethyl-2-[4-({1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridin]-6'-yl}carbonyl)piperazin-1-yl]acetamide

S922-0081 Screening compound: N,N-dimethyl-2-[4-({1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridin]-6'-yl}carbonyl)piperazin-1-yl]acetamide
S922-0081 Screening compound: N,N-dimethyl-2-[4-({1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridin]-6'-yl}carbonyl)piperazin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S922-0081
N,N-dimethyl-2-[4-({1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridin]-6'-yl}carbonyl)piperazin-1-yl]acetamide

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

S922-0081

Molecular Formula

C20H32N6O2 (C20 H32 N6 O2)

Compound Name

N,N-dimethyl-2-[4-({1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridin]-6'-yl}carbonyl)piperazin-1-yl]acetamide

IUPAC name

NN-dimethyl-2-(4-{[(6'S)-1'5'6'7'-tetrahydrospiro[cyclohexane-14'-imidazo[45-c]pyridin]-6'-yl]carbonyl}piperazin-1-yl)acetamide

SMILES

CN(C)C(CN(CC1)CCN1C([C@H](C1)NC2(CCCCC2)c2c1[nH]cn2)=O)=O

InChI

InChI=1S/C20H32N6O2/c1-24(2)17(27)13-25-8-10-26(11-9-25)19(28)16-12-15-18(22-14-21-15)20(23-16)6-4-3-5-7-20/h14,16,23H,3-13H2,1-2H3,(H,21,22)/t16-/m0/s1

InChI Key

DSGVAIMMDZGAPB-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.495

Distribution Coefficient, logD

-2.516

Water Solubility, LogSw

-1.27

Polar Surface Area

71.991

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S922-0081 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S922-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S922-0081?
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What is the minimum amount of S922-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S922-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S922-0081
  • 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 S922-0081 available by request