D472-0869 Screening compound: 2-[7-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol

D472-0869 Screening compound: 2-[7-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
D472-0869 Screening compound: 2-[7-(2-chlorophenyl)-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 D472-0869
2-[7-(2-chlorophenyl)-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

D472-0869

Molecular Formula

C21H16ClN5O (C21 H16 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(-c(cccc4)c4O)nc13)c(C)n2-c(cccc1)c1Cl

InChI

InChI=1S/C21H16ClN5O/c1-12-13(2)27(16-9-5-4-8-15(16)22)20-18(12)21-24-19(25-26(21)11-23-20)14-7-3-6-10-17(14)28/h3-11,28H,1-2H3

InChI Key

HULHEBLQMGNFBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.863

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-4.38

Polar Surface Area

49.064

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D472-0869 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D472-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0869?
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What is the minimum amount of D472-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0869
  • 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 D472-0869 available by request