P573-7888 Screening compound: methyl 2-{7-[(3-fluoro-4-methylphenyl)amino]-5-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}propanoate

P573-7888 Screening compound: methyl 2-{7-[(3-fluoro-4-methylphenyl)amino]-5-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}propanoate
P573-7888 Screening compound: methyl 2-{7-[(3-fluoro-4-methylphenyl)amino]-5-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P573-7888
methyl 2-{7-[(3-fluoro-4-methylphenyl)amino]-5-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}propanoate

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

P573-7888

Molecular Formula

C17H18FN5O3 (C17 H18 FN5 O3)

Compound Name

methyl 2-{7-[(3-fluoro-4-methylphenyl)amino]-5-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}propanoate

IUPAC name

methyl 2-{7-[(3-fluoro-4-methylphenyl)amino]-5-methyl-3-oxo-2H3H-[124]triazolo[43-a]pyrimidin-2-yl}propanoate

SMILES

CC(C(OC)=O)N(C(N1C(C)=C2)=O)N=C1N=C2Nc1cc(F)c(C)cc1

InChI

InChI=1S/C17H18FN5O3/c1-9-5-6-12(8-13(9)18)19-14-7-10(2)22-16(20-14)21-23(17(22)25)11(3)15(24)26-4/h5-8,11H,1-4H3,(H,19,20,21)/t11-/m0/s1

InChI Key

ZLCZRVRYKRZCAR-NSHDSACASA-N

MDL Number (MFCD)

MFCD27604955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.785

Distribution Coefficient, logD

2.782

Water Solubility, LogSw

-3.25

Polar Surface Area

71.489

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

P573-7888 in Drug Discovery

Included in Screening Libraries

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

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 P573-7888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P573-7888?
Check Price and Availability of P573-7888, 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 P573-7888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P573-7888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P573-7888
  • 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 P573-7888 available by request