D718-1451 Screening compound: 3-(4-chlorophenyl)-2-ethyl-7-(5-ethyl-4H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one

D718-1451 Screening compound: 3-(4-chlorophenyl)-2-ethyl-7-(5-ethyl-4H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one
D718-1451 Screening compound: 3-(4-chlorophenyl)-2-ethyl-7-(5-ethyl-4H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1451
3-(4-chlorophenyl)-2-ethyl-7-(5-ethyl-4H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-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

D718-1451

Molecular Formula

C21H18ClN7O (C21 H18 ClN7 O)

Compound Name

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

IUPAC name

5-(4-chlorophenyl)-4-ethyl-11-(5-ethyl-4H-124-triazol-3-yl)-23711-tetraazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

CCc(c(-c(cc1)ccc1Cl)c1nc2)nn1c(C=CN1c3nnc(CC)[nH]3)c2C1=O

InChI

InChI=1S/C21H18ClN7O/c1-3-15-18(12-5-7-13(22)8-6-12)19-23-11-14-16(29(19)27-15)9-10-28(20(14)30)21-24-17(4-2)25-26-21/h5-11H,3-4H2,1-2H3,(H,24,25,26)

InChI Key

SFJKITXGCUSAIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11083240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.936

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-3.88

Polar Surface Area

72.222

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D718-1451 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D718-1451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1451?
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What is the minimum amount of D718-1451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1451
  • 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 D718-1451 available by request