D472-1136 Screening compound: 4-{3-[8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}morpholine

D472-1136 Screening compound: 4-{3-[8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}morpholine
D472-1136 Screening compound: 4-{3-[8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-1136
4-{3-[8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}morpholine

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

D472-1136

Molecular Formula

C23H28N6O (C23 H28 N6 O)

Compound Name

4-{3-[8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}morpholine

IUPAC name

1112-dimethyl-4-(3-methylphenyl)-10-[3-(morpholin-4-yl)propyl]-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc1c(C)n(CCCN2CCOCC2)c2c1c1nc(-c3cc(C)ccc3)nn1cn2

InChI

InChI=1S/C23H28N6O/c1-16-6-4-7-19(14-16)21-25-23-20-17(2)18(3)28(22(20)24-15-29(23)26-21)9-5-8-27-10-12-30-13-11-27/h4,6-7,14-15H,5,8-13H2,1-3H3

InChI Key

FRDQJDASPGCKQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.38

Polar Surface Area

43.943

Acid Dissociation Constant (pKa)

24.72

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

D472-1136 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D472-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1136?
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What is the minimum amount of D472-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1136
  • 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 D472-1136 available by request