D529-0278 Screening compound: ethyl 4-{[(5-fluoro-2-methylphenyl)carbamoyl]methyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

D529-0278 Screening compound: ethyl 4-{[(5-fluoro-2-methylphenyl)carbamoyl]methyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
D529-0278 Screening compound: ethyl 4-{[(5-fluoro-2-methylphenyl)carbamoyl]methyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D529-0278
ethyl 4-{[(5-fluoro-2-methylphenyl)carbamoyl]methyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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

D529-0278

Molecular Formula

C24H23F2N5O3 (C24 H23 F2 N5 O3)

Compound Name

ethyl 4-{[(5-fluoro-2-methylphenyl)carbamoyl]methyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 4-{[(5-fluoro-2-methylphenyl)carbamoyl]methyl}-7-(4-fluorophenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)N(CC(Nc2c(C)ccc(F)c2)=O)c2ncnn2C1c(cc1)ccc1F)=O

InChI

InChI=1S/C24H23F2N5O3/c1-4-34-23(33)21-15(3)30(12-20(32)29-19-11-18(26)8-5-14(19)2)24-27-13-28-31(24)22(21)16-6-9-17(25)10-7-16/h5-11,13,22H,4,12H2,1-3H3,(H,29,32)/t22-/m1/s1

InChI Key

DDQYIPMDMXPWSU-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27591372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-3.67

Polar Surface Area

69.426

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D529-0278 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 D529-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D529-0278?
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What is the minimum amount of D529-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D529-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D529-0278
  • 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 D529-0278 available by request