F142-0476 Screening compound: 5-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-phenylpentanamide

F142-0476 Screening compound: 5-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-phenylpentanamide
F142-0476 Screening compound: 5-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-phenylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F142-0476
5-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-phenylpentanamide

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

F142-0476

Molecular Formula

C28H27N3O5 (C28 H27 N3 O5)

Compound Name

5-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}-N-phenylpentanamide

IUPAC name

5-{1-[(5-formyl-2-methoxyphenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}-N-phenylpentanamide

SMILES

COc1c(CN(c(cccc2)c2C(N2CCCCC(Nc3ccccc3)=O)=O)C2=O)cc(C=O)cc1

InChI

InChI=1S/C28H27N3O5/c1-36-25-15-14-20(19-32)17-21(25)18-31-24-12-6-5-11-23(24)27(34)30(28(31)35)16-8-7-13-26(33)29-22-9-3-2-4-10-22/h2-6,9-12,14-15,17,19H,7-8,13,16,18H2,1H3,(H,29,33)

InChI Key

GGMBOYGXOTZHMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.72

Polar Surface Area

76.184

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

F142-0476 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with F142-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F142-0476?
Check Price and Availability of F142-0476, 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 F142-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F142-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F142-0476
  • 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 F142-0476 available by request