D043-0317 Screening compound: N-{5,7-diphenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzamide

D043-0317 Screening compound: N-{5,7-diphenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzamide
D043-0317 Screening compound: N-{5,7-diphenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0317
N-{5,7-diphenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzamide

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

D043-0317

Molecular Formula

C25H23N5O (C25 H23 N5 O)

Compound Name

N-{5,7-diphenyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methylbenzamide

IUPAC name

N-[(5S7R)-57-diphenyl-4H5H6H7H-[124]triazolo[15-a]pyrimidin-2-yl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc1nn([C@@H](C[C@H](c2ccccc2)N2)c3ccccc3)c2n1)=O

InChI

InChI=1S/C25H23N5O/c1-17-12-14-20(15-13-17)23(31)27-24-28-25-26-21(18-8-4-2-5-9-18)16-22(30(25)29-24)19-10-6-3-7-11-19/h2-15,21-22H,16H2,1H3,(H2,26,27,28,29,31)/t21-,22-/m0/s1

InChI Key

MVZSXGUZYVRFII-VXKWHMMOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.181

Distribution Coefficient, logD

5.173

Water Solubility, LogSw

-5.07

Polar Surface Area

62.353

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.00

D043-0317 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D043-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0317?
Check Price and Availability of D043-0317, 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 D043-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0317
  • 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 D043-0317 available by request