D718-1469 Screening compound: 2-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]benzonitrile

D718-1469 Screening compound: 2-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]benzonitrile
D718-1469 Screening compound: 2-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1469
2-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]benzonitrile

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

D718-1469

Molecular Formula

C23H14FN5O (C23 H14 FN5 O)

Compound Name

2-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]benzonitrile

IUPAC name

2-[5-(4-fluorophenyl)-4-methyl-10-oxo-23711-tetraazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-11-yl]benzonitrile

SMILES

Cc(c(-c(cc1)ccc1F)c1nc2)nn1c(C=CN1c(cccc3)c3C#N)c2C1=O

InChI

InChI=1S/C23H14FN5O/c1-14-21(15-6-8-17(24)9-7-15)22-26-13-18-20(29(22)27-14)10-11-28(23(18)30)19-5-3-2-4-16(19)12-25/h2-11,13H,1H3

InChI Key

IDDMXWMQUVAGHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11083263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-3.56

Polar Surface Area

54.314

Acid Dissociation Constant (pKa)

30.49

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

D718-1469 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D718-1469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1469?
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What is the minimum amount of D718-1469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1469
  • 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 D718-1469 available by request