D472-1135 Screening compound: 4-(3-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}propyl)morpholine

D472-1135 Screening compound: 4-(3-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}propyl)morpholine
D472-1135 Screening compound: 4-(3-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-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 D472-1135
4-(3-{2-[4-(tert-butyl)phenyl]-8,9-dimethyl-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

D472-1135

Molecular Formula

C26H34N6O (C26 H34 N6 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1-c1nn(cnc2c3c(C)c(C)n2CCCN2CCOCC2)c3n1

InChI

InChI=1S/C26H34N6O/c1-18-19(2)31(12-6-11-30-13-15-33-16-14-30)24-22(18)25-28-23(29-32(25)17-27-24)20-7-9-21(10-8-20)26(3,4)5/h7-10,17H,6,11-16H2,1-5H3

InChI Key

RTXCDBFXTIKSFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.682

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.52

Polar Surface Area

43.943

Acid Dissociation Constant (pKa)

24.72

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D472-1135 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D472-1135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1135?
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What is the minimum amount of D472-1135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1135
  • 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 D472-1135 available by request