D472-0691 Screening compound: 7-(2-bromophenyl)-8,9-dimethyl-2-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0691 Screening compound: 7-(2-bromophenyl)-8,9-dimethyl-2-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0691 Screening compound: 7-(2-bromophenyl)-8,9-dimethyl-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 D472-0691
7-(2-bromophenyl)-8,9-dimethyl-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

D472-0691

Molecular Formula

C22H18BrN5 (C22 H18 BrN5)

Compound Name

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

IUPAC name

10-(2-bromophenyl)-1112-dimethyl-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-c(cccc1)c1Br

InChI

InChI=1S/C22H18BrN5/c1-13-8-10-16(11-9-13)20-25-22-19-14(2)15(3)28(18-7-5-4-6-17(18)23)21(19)24-12-27(22)26-20/h4-12H,1-3H3

InChI Key

YOKUMIAXNMEJBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.32

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

5.376

Distribution Coefficient, logD

5.226

Water Solubility, LogSw

-5.86

Polar Surface Area

32.516

Acid Dissociation Constant (pKa)

27.76

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D472-0691 in Drug Discovery

Included in Screening Libraries

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 D472-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0691?
Check Price and Availability of D472-0691, 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 D472-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0691
  • 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 D472-0691 available by request