D472-0074 Screening compound: 2-(4-chlorophenyl)-8,9-dimethyl-7-phenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0074 Screening compound: 2-(4-chlorophenyl)-8,9-dimethyl-7-phenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0074 Screening compound: 2-(4-chlorophenyl)-8,9-dimethyl-7-phenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0074
2-(4-chlorophenyl)-8,9-dimethyl-7-phenyl-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

D472-0074

Molecular Formula

C21H16ClN5 (C21 H16 ClN5)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(-c(cc4)ccc4Cl)nc13)c(C)n2-c1ccccc1

InChI

InChI=1S/C21H16ClN5/c1-13-14(2)27(17-6-4-3-5-7-17)20-18(13)21-24-19(25-26(21)12-23-20)15-8-10-16(22)11-9-15/h3-12H,1-2H3

InChI Key

YPDMEYZQCMFCMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.84

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

4.928

Distribution Coefficient, logD

4.802

Water Solubility, LogSw

-5.27

Polar Surface Area

32.817

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D472-0074 in Drug Discovery

Included in Screening Libraries

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

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 D472-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0074?
Check Price and Availability of D472-0074, 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 D472-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0074
  • 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 D472-0074 available by request