SA18-0172 Screening compound: 2-{6-fluoro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}-7-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-8-one

SA18-0172 Screening compound: 2-{6-fluoro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}-7-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-8-one
SA18-0172 Screening compound: 2-{6-fluoro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}-7-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA18-0172
2-{6-fluoro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}-7-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-8-one

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

SA18-0172

Molecular Formula

C19H18FN5O2 (C19 H18 FN5 O2)

Compound Name

2-{6-fluoro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}-7-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-8-one

IUPAC name

2-{6-fluoro-1H2H3H4H5H-pyrido[43-b]indole-2-carbonyl}-7-methyl-5H6H7H8H-imidazo[12-a]pyrazin-8-one

SMILES

CN(CCn1c2nc(C(N(CC3)Cc(c4ccc5)c3[nH]c4c5F)=O)c1)C2=O

InChI

InChI=1S/C19H18FN5O2/c1-23-7-8-24-10-15(22-17(24)19(23)27)18(26)25-6-5-14-12(9-25)11-3-2-4-13(20)16(11)21-14/h2-4,10,21H,5-9H2,1H3

InChI Key

MTYWIKXYRONXAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32235660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.933

Distribution Coefficient, logD

0.933

Water Solubility, LogSw

-2.13

Polar Surface Area

56.474

Acid Dissociation Constant (pKa)

18.68

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

SA18-0172 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA18-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA18-0172?
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What is the minimum amount of SA18-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA18-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA18-0172
  • 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 SA18-0172 available by request