Y040-3061 Screening compound: 2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(3-fluorophenyl)-3-methylbutanamide

Y040-3061 Screening compound: 2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(3-fluorophenyl)-3-methylbutanamide
Y040-3061 Screening compound: 2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(3-fluorophenyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3061
2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(3-fluorophenyl)-3-methylbutanamide

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

Y040-3061

Molecular Formula

C19H18FN3O3 (C19 H18 FN3 O3)

Compound Name

2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(3-fluorophenyl)-3-methylbutanamide

IUPAC name

(2S)-2-(24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-(3-fluorophenyl)-3-methylbutanamide

SMILES

CC(C)C(C(Nc1cccc(F)c1)=O)N(C(c(cccc1)c1N1)=O)C1=O

InChI

InChI=1S/C19H18FN3O3/c1-11(2)16(17(24)21-13-7-5-6-12(20)10-13)23-18(25)14-8-3-4-9-15(14)22-19(23)26/h3-11,16H,1-2H3,(H,21,24)(H,22,26)/t16-/m0/s1

InChI Key

CUQJNVDTOUCMBY-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.606

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-3.79

Polar Surface Area

62.804

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

Y040-3061 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-3061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3061?
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What is the minimum amount of Y040-3061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3061
  • 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 Y040-3061 available by request