D021-0137 Screening compound: 1-(4-methoxybenzyl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

D021-0137 Screening compound: 1-(4-methoxybenzyl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
D021-0137 Screening compound: 1-(4-methoxybenzyl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D021-0137
1-(4-methoxybenzyl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

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

D021-0137

Molecular Formula

C21H16N4O3 (C21 H16 N4 O3)

Compound Name

1-(4-methoxybenzyl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

IUPAC name

7-[(4-methoxyphenyl)methyl]-11-methyl-26-dioxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carbonitrile

SMILES

CC(C1=NC(N(Cc(cc2)ccc2OC)C2=O)=C3C=C2C#N)=CC=CN1C3=O

InChI

InChI=1S/C21H16N4O3/c1-13-4-3-9-24-18(13)23-19-17(21(24)27)10-15(11-22)20(26)25(19)12-14-5-7-16(28-2)8-6-14/h3-10H,12H2,1-2H3

InChI Key

MDIQZFJWLZLTFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06601438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.142

Distribution Coefficient, logD

2.142

Water Solubility, LogSw

-2.44

Polar Surface Area

64.195

Acid Dissociation Constant (pKa)

30.63

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D021-0137 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D021-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D021-0137?
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What is the minimum amount of D021-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D021-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D021-0137
  • 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 D021-0137 available by request