D458-0104 Screening compound: 2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide

D458-0104 Screening compound: 2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide
D458-0104 Screening compound: 2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0104
2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide

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

D458-0104

Molecular Formula

C22H20ClN5O (C22 H20 ClN5 O)

Compound Name

2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide

IUPAC name

2-[2-(4-chlorophenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide

SMILES

Cc(cccc1)c1NC(Cc1c(C)n2nc(-c(cc3)ccc3Cl)nc2nc1C)=O

InChI

InChI=1S/C22H20ClN5O/c1-13-6-4-5-7-19(13)25-20(29)12-18-14(2)24-22-26-21(27-28(22)15(18)3)16-8-10-17(23)11-9-16/h4-11H,12H2,1-3H3,(H,25,29)

InChI Key

SSNXFAHGUDGCCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-4.52

Polar Surface Area

53.284

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D458-0104 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D458-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0104?
Check Price and Availability of D458-0104, 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 D458-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0104
  • 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 D458-0104 available by request