D472-0692 Screening compound: 4-[7-(2-bromophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methoxyphenyl methyl ether

D472-0692 Screening compound: 4-[7-(2-bromophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methoxyphenyl methyl ether
D472-0692 Screening compound: 4-[7-(2-bromophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0692
4-[7-(2-bromophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methoxyphenyl 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

D472-0692

Molecular Formula

C23H20BrN5O2 (C23 H20 BrN5 O2)

Compound Name

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

IUPAC name

10-(2-bromophenyl)-4-(34-dimethoxyphenyl)-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc(c1c2ncn3nc(-c(cc4)cc(OC)c4OC)nc13)c(C)n2-c(cccc1)c1Br

InChI

InChI=1S/C23H20BrN5O2/c1-13-14(2)29(17-8-6-5-7-16(17)24)22-20(13)23-26-21(27-28(23)12-25-22)15-9-10-18(30-3)19(11-15)31-4/h5-12H,1-4H3

InChI Key

HVSJDEVYCSBUMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.74

Polar Surface Area

47.777

Acid Dissociation Constant (pKa)

27.76

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D472-0692 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D472-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0692?
Check Price and Availability of D472-0692, 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 D472-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0692
  • 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 D472-0692 available by request