8018-8132 Screening compound: 1-{3-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propyl}-2-pyrrolidinone

8018-8132 Screening compound: 1-{3-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propyl}-2-pyrrolidinone
8018-8132 Screening compound: 1-{3-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propyl}-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8132
1-{3-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propyl}-2-pyrrolidinone

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

8018-8132

Molecular Formula

C17H20N6O (C17 H20 N6 O)

Compound Name

1-{3-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]propyl}-2-pyrrolidinone

IUPAC name

1-[3-({1-methyl-[124]triazolo[43-a]quinoxalin-4-yl}amino)propyl]pyrrolidin-2-one

SMILES

Cc1nnc2n1c(cccc1)c1nc2NCCCN(CCC1)C1=O

InChI

InChI=1S/C17H20N6O/c1-12-20-21-17-16(18-9-5-11-22-10-4-8-15(22)24)19-13-6-2-3-7-14(13)23(12)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,19)

InChI Key

GAXAAIYJZWSBDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.668

Distribution Coefficient, logD

0.660

Water Solubility, LogSw

-1.69

Polar Surface Area

58.925

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

8018-8132 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-8132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8132?
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What is the minimum amount of 8018-8132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8132
  • 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 8018-8132 available by request