D413-0305 Screening compound: 1-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione

D413-0305 Screening compound: 1-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
D413-0305 Screening compound: 1-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0305
1-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione

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

D413-0305

Molecular Formula

C22H18BrN5O3 (C22 H18 BrN5 O3)

Compound Name

1-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione

IUPAC name

1-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]pyrrolidine-25-dione

SMILES

COc1ccc(C2n3nc(N(C(CC4)=O)C4=O)nc3NC(c(cc3)ccc3Br)=C2)cc1

InChI

InChI=1S/C22H18BrN5O3/c1-31-16-8-4-14(5-9-16)18-12-17(13-2-6-15(23)7-3-13)24-21-25-22(26-28(18)21)27-19(29)10-11-20(27)30/h2-9,12,18H,10-11H2,1H3,(H,24,25,26)/t18-/m1/s1

InChI Key

ORSHASBOSZNMPQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04029947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.340

Water Solubility, LogSw

-3.50

Polar Surface Area

73.598

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

D413-0305 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D413-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0305?
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What is the minimum amount of D413-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0305
  • 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 D413-0305 available by request