D718-1575 Screening compound: 3-(3-chlorophenyl)-7-(2,5-dimethoxyphenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

D718-1575 Screening compound: 3-(3-chlorophenyl)-7-(2,5-dimethoxyphenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one
D718-1575 Screening compound: 3-(3-chlorophenyl)-7-(2,5-dimethoxyphenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1575
3-(3-chlorophenyl)-7-(2,5-dimethoxyphenyl)-2-methylpyrazolo[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

D718-1575

Molecular Formula

C23H18ClN5O3 (C23 H18 ClN5 O3)

Compound Name

3-(3-chlorophenyl)-7-(2,5-dimethoxyphenyl)-2-methylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

IUPAC name

5-(3-chlorophenyl)-11-(25-dimethoxyphenyl)-4-methyl-237811-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

Cc1nn2c(C=CN(c(cc(cc3)OC)c3OC)C3=O)c3nnc2c1-c1cccc(Cl)c1

InChI

InChI=1S/C23H18ClN5O3/c1-13-20(14-5-4-6-15(24)11-14)22-26-25-21-17(29(22)27-13)9-10-28(23(21)30)18-12-16(31-2)7-8-19(18)32-3/h4-12H,1-3H3

InChI Key

LCSJTKMXQAXANM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11855727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-5.04

Polar Surface Area

66.178

Acid Dissociation Constant (pKa)

30.10

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D718-1575 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 D718-1575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1575?
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What is the minimum amount of D718-1575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1575
  • 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 D718-1575 available by request