D413-0135 Screening compound: 1-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione

D413-0135 Screening compound: 1-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
D413-0135 Screening compound: 1-[5,7-bis(4-chlorophenyl)-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 D413-0135
1-[5,7-bis(4-chlorophenyl)-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

D413-0135

Molecular Formula

C21H15Cl2N5O2 (C21 H15 Cl2 N5 O2)

Compound Name

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

IUPAC name

1-[57-bis(4-chlorophenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]pyrrolidine-25-dione

SMILES

O=C(CCC1=O)N1c1nn(C(C=C(c(cc2)ccc2Cl)N2)c(cc3)ccc3Cl)c2n1

InChI

InChI=1S/C21H15Cl2N5O2/c22-14-5-1-12(2-6-14)16-11-17(13-3-7-15(23)8-4-13)28-20(24-16)25-21(26-28)27-18(29)9-10-19(27)30/h1-8,11,17H,9-10H2,(H,24,25,26)/t17-/m1/s1

InChI Key

GBDXQGLBKXUYCH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03687464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.713

Water Solubility, LogSw

-4.61

Polar Surface Area

66.054

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-6.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D413-0135 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D413-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0135?
Check Price and Availability of D413-0135, 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 D413-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0135
  • 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 D413-0135 available by request