D472-0191 Screening compound: 2-(2-methoxyphenyl)-8,9-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0191 Screening compound: 2-(2-methoxyphenyl)-8,9-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0191 Screening compound: 2-(2-methoxyphenyl)-8,9-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0191
2-(2-methoxyphenyl)-8,9-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

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

D472-0191

Molecular Formula

C23H21N5O (C23 H21 N5 O)

Compound Name

2-(2-methoxyphenyl)-8,9-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(-c(cccc4)c4OC)nc13)c(C)n2-c1ccc(C)cc1

InChI

InChI=1S/C23H21N5O/c1-14-9-11-17(12-10-14)28-16(3)15(2)20-22(28)24-13-27-23(20)25-21(26-27)18-7-5-6-8-19(18)29-4/h5-13H,1-4H3

InChI Key

HENLJKCLHOQODL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

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

4.477

Distribution Coefficient, logD

4.351

Water Solubility, LogSw

-4.82

Polar Surface Area

40.448

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D472-0191 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D472-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0191?
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What is the minimum amount of D472-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0191
  • 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 D472-0191 available by request