D472-0112 Screening compound: 8,9-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0112 Screening compound: 8,9-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0112 Screening compound: 8,9-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0112
8,9-dimethyl-7-(2-methylphenyl)-2-(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

D472-0112

Molecular Formula

C23H21N5 (C23 H21 N5)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(-c4ccc(C)cc4)nc13)c(C)n2-c1c(C)cccc1

InChI

InChI=1S/C23H21N5/c1-14-9-11-18(12-10-14)21-25-23-20-16(3)17(4)28(19-8-6-5-7-15(19)2)22(20)24-13-27(23)26-21/h5-13H,1-4H3

InChI Key

NXBIAZXMXIGKBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.237

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-5.41

Polar Surface Area

32.516

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with D472-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0112?
Check Price and Availability of D472-0112, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D472-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0112
  • 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 D472-0112 available by request