8020-1658 Screening compound: 3-(4-chlorophenyl)-2-ethyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

8020-1658 Screening compound: 3-(4-chlorophenyl)-2-ethyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one
8020-1658 Screening compound: 3-(4-chlorophenyl)-2-ethyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1658
3-(4-chlorophenyl)-2-ethyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-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

8020-1658

Molecular Formula

C18H13ClN8O (C18 H13 ClN8 O)

Compound Name

3-(4-chlorophenyl)-2-ethyl-7-(1H-1,2,4-triazol-5-yl)pyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

IUPAC name

5-(4-chlorophenyl)-4-ethyl-11-(1H-124-triazol-5-yl)-237811-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

CCc1nn2c(C=CN(c3ncn[nH]3)C3=O)c3nnc2c1-c(cc1)ccc1Cl

InChI

InChI=1S/C18H13ClN8O/c1-2-12-14(10-3-5-11(19)6-4-10)16-23-22-15-13(27(16)25-12)7-8-26(17(15)28)18-20-9-21-24-18/h3-9H,2H2,1H3,(H,20,21,24)

InChI Key

RWKWBFDCHXXJIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.255

Distribution Coefficient, logD

3.253

Water Solubility, LogSw

-4.05

Polar Surface Area

86.623

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8020-1658 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-1658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1658?
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What is the minimum amount of 8020-1658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1658
  • 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 8020-1658 available by request