P572-5068 Screening compound: 2-{5-[(4-FLUOROPHENYL)AMINO]-7-METHYL-3-OXO-2H,3H-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-2-YL}-N-METHYL-N-PHENYLACETAMIDE

P572-5068 Screening compound: 2-{5-[(4-FLUOROPHENYL)AMINO]-7-METHYL-3-OXO-2H,3H-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-2-YL}-N-METHYL-N-PHENYLACETAMIDE
P572-5068 Screening compound: 2-{5-[(4-FLUOROPHENYL)AMINO]-7-METHYL-3-OXO-2H,3H-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-2-YL}-N-METHYL-N-PHENYLACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P572-5068
2-{5-[(4-FLUOROPHENYL)AMINO]-7-METHYL-3-OXO-2H,3H-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-2-YL}-N-METHYL-N-PHENYLACETAMIDE

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

P572-5068

Molecular Formula

C21H19FN6O2 (C21 H19 FN6 O2)

Compound Name

2-{5-[(4-FLUOROPHENYL)AMINO]-7-METHYL-3-OXO-2H,3H-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-2-YL}-N-METHYL-N-PHENYLACETAMIDE

IUPAC name

n/a

SMILES

CC(N=C(Nc(cc1)ccc1F)N12)=CC2=NN(CC(N(C)c2ccccc2)=O)C1=O

InChI

InChI=1S/C21H19FN6O2/c1-14-12-18-25-27(13-19(29)26(2)17-6-4-3-5-7-17)21(30)28(18)20(23-14)24-16-10-8-15(22)9-11-16/h3-12H,13H2,1-2H3,(H,23,24)

InChI Key

LZUOXLHTGYFZLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.344

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-2.84

Polar Surface Area

65.758

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P572-5068 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 P572-5068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P572-5068?
Check Price and Availability of P572-5068, 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 P572-5068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P572-5068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P572-5068
  • 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 P572-5068 available by request