D472-0972 Screening compound: 2-[7-(3,4-diethoxyphenethyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol

D472-0972 Screening compound: 2-[7-(3,4-diethoxyphenethyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
D472-0972 Screening compound: 2-[7-(3,4-diethoxyphenethyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0972
2-[7-(3,4-diethoxyphenethyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol

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

D472-0972

Molecular Formula

C27H29N5O3 (C27 H29 N5 O3)

Compound Name

2-[7-(3,4-diethoxyphenethyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol

IUPAC name

2-{10-[2-(34-diethoxyphenyl)ethyl]-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-4-yl}phenol

SMILES

CCOc(ccc(CCn(c(C)c1C)c2c1c1nc(-c(cccc3)c3O)nn1cn2)c1)c1OCC

InChI

InChI=1S/C27H29N5O3/c1-5-34-22-12-11-19(15-23(22)35-6-2)13-14-31-18(4)17(3)24-26(31)28-16-32-27(24)29-25(30-32)20-9-7-8-10-21(20)33/h7-12,15-16,33H,5-6,13-14H2,1-4H3

InChI Key

XTJKQFWCAOXEDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.836

Distribution Coefficient, logD

4.494

Water Solubility, LogSw

-4.39

Polar Surface Area

63.021

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

D472-0972 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D472-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0972?
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What is the minimum amount of D472-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0972
  • 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 D472-0972 available by request