S900-0089 Screening compound: 2-(N-methyl-1-{1',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-6'-yl}formamido)-N-(propan-2-yl)acetamide

S900-0089 Screening compound: 2-(N-methyl-1-{1',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-6'-yl}formamido)-N-(propan-2-yl)acetamide
S900-0089 Screening compound: 2-(N-methyl-1-{1',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-6'-yl}formamido)-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S900-0089
2-(N-methyl-1-{1',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-6'-yl}formamido)-N-(propan-2-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

S900-0089

Molecular Formula

C17H27N5O2 (C17 H27 N5 O2)

Compound Name

2-(N-methyl-1-{1',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-6'-yl}formamido)-N-(propan-2-yl)acetamide

IUPAC name

2-{N-methyl-1-[(6'S)-1'5'6'7'-tetrahydrospiro[cyclopentane-14'-imidazo[45-c]pyridin]-6'-yl]formamido}-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CN(C)C([C@H](C1)NC2(CCCC2)c2c1[nH]cn2)=O)=O

InChI

InChI=1S/C17H27N5O2/c1-11(2)20-14(23)9-22(3)16(24)13-8-12-15(19-10-18-12)17(21-13)6-4-5-7-17/h10-11,13,21H,4-9H2,1-3H3,(H,18,19)(H,20,23)/t13-/m0/s1

InChI Key

RXQFNWTULYPSBR-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.389

Distribution Coefficient, logD

-2.041

Water Solubility, LogSw

-1.37

Polar Surface Area

76.292

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

9.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

S900-0089 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 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
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S900-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S900-0089?
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What is the minimum amount of S900-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S900-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S900-0089
  • 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 S900-0089 available by request