D472-0227 Screening compound: 2-[2-(4-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether

D472-0227 Screening compound: 2-[2-(4-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether
D472-0227 Screening compound: 2-[2-(4-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0227
2-[2-(4-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether

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

D472-0227

Molecular Formula

C22H18ClN5O (C22 H18 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(-c(cc4)ccc4Cl)nc13)c(C)n2-c(cccc1)c1OC

InChI

InChI=1S/C22H18ClN5O/c1-13-14(2)28(17-6-4-5-7-18(17)29-3)21-19(13)22-25-20(26-27(22)12-24-21)15-8-10-16(23)11-9-15/h4-12H,1-3H3

InChI Key

QDRBHVWQGPQYDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

3.732

Water Solubility, LogSw

-5.15

Polar Surface Area

40.147

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D472-0227 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D472-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0227?
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What is the minimum amount of D472-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0227
  • 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 D472-0227 available by request