8018-4690 Screening compound: 3-(4-chlorophenyl)-5,5-dimethyl-4,5-dihydro-3H-pyrazolo[4,3-f]pyrido[3,2-b]quinoxaline

8018-4690 Screening compound: 3-(4-chlorophenyl)-5,5-dimethyl-4,5-dihydro-3H-pyrazolo[4,3-f]pyrido[3,2-b]quinoxaline
8018-4690 Screening compound: 3-(4-chlorophenyl)-5,5-dimethyl-4,5-dihydro-3H-pyrazolo[4,3-f]pyrido[3,2-b]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4690
3-(4-chlorophenyl)-5,5-dimethyl-4,5-dihydro-3H-pyrazolo[4,3-f]pyrido[3,2-b]quinoxaline

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

8018-4690

Molecular Formula

C20H16ClN5 (C20 H16 ClN5)

Compound Name

3-(4-chlorophenyl)-5,5-dimethyl-4,5-dihydro-3H-pyrazolo[4,3-f]pyrido[3,2-b]quinoxaline

IUPAC name

14-(4-chlorophenyl)-1717-dimethyl-2791314-pentaazatetracyclo[8.7.0.0^{38}.0^{1115}]heptadeca-1(10)246811(15)12-heptaene

SMILES

CC(C)(C1)c2nc3cccnc3nc2-c2c1n(-c(cc1)ccc1Cl)nc2

InChI

InChI=1S/C20H16ClN5/c1-20(2)10-16-14(11-23-26(16)13-7-5-12(21)6-8-13)17-18(20)24-15-4-3-9-22-19(15)25-17/h3-9,11H,10H2,1-2H3

InChI Key

YBVOSJKIZWCIMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07435038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

4.651

Water Solubility, LogSw

-4.90

Polar Surface Area

42.967

Acid Dissociation Constant (pKa)

24.67

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8018-4690 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-4690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4690?
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What is the minimum amount of 8018-4690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4690
  • 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 8018-4690 available by request