S922-0037 Screening compound: (6'{S})-{N}-[2-(2-thienyl)ethyl]-1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-{c}]pyridine]-6'-carboxamide

S922-0037 Screening compound: (6'{S})-{N}-[2-(2-thienyl)ethyl]-1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-{c}]pyridine]-6'-carboxamide
S922-0037 Screening compound: (6'{S})-{N}-[2-(2-thienyl)ethyl]-1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-{c}]pyridine]-6'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S922-0037
(6'{S})-{N}-[2-(2-thienyl)ethyl]-1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-{c}]pyridine]-6'-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

S922-0037

Molecular Formula

C18H24N4OS (C18 H24 N4 OS)

Compound Name

(6'{S})-{N}-[2-(2-thienyl)ethyl]-1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-{c}]pyridine]-6'-carboxamide

IUPAC name

(6'S)-N-[2-(thiophen-2-yl)ethyl]-1'5'6'7'-tetrahydrospiro[cyclohexane-14'-imidazo[45-c]pyridine]-6'-carboxamide

SMILES

O=C([C@H](C1)NC2(CCCCC2)c2c1[nH]cn2)NCCc1cccs1

InChI

InChI=1S/C18H24N4OS/c23-17(19-9-6-13-5-4-10-24-13)15-11-14-16(21-12-20-14)18(22-15)7-2-1-3-8-18/h4-5,10,12,15,22H,1-3,6-9,11H2,(H,19,23)(H,20,21)/t15-/m0/s1

InChI Key

URNUETLTCPWXTP-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.952

Distribution Coefficient, logD

-0.069

Water Solubility, LogSw

-2.45

Polar Surface Area

61.331

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S922-0037 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S922-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S922-0037?
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What is the minimum amount of S922-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S922-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S922-0037
  • 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 S922-0037 available by request