F144-0248 Screening compound: N-butyl-2-(4-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)acetamide

F144-0248 Screening compound: N-butyl-2-(4-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)acetamide
F144-0248 Screening compound: N-butyl-2-(4-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F144-0248
N-butyl-2-(4-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)acetamide

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

F144-0248

Molecular Formula

C29H29N3O5 (C29 H29 N3 O5)

Compound Name

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

IUPAC name

N-butyl-2-(4-{1-[(5-formyl-2-methoxyphenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}phenyl)acetamide

SMILES

CCCCNC(Cc(cc1)ccc1N(C(c(cccc1)c1N1Cc(cc(C=O)cc2)c2OC)=O)C1=O)=O

InChI

InChI=1S/C29H29N3O5/c1-3-4-15-30-27(34)17-20-9-12-23(13-10-20)32-28(35)24-7-5-6-8-25(24)31(29(32)36)18-22-16-21(19-33)11-14-26(22)37-2/h5-14,16,19H,3-4,15,17-18H2,1-2H3,(H,30,34)

InChI Key

CWEQWUPSRWZHBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27104424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

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

2.958

Distribution Coefficient, logD

2.958

Water Solubility, LogSw

-3.52

Polar Surface Area

76.758

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

F144-0248 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F144-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F144-0248?
Check Price and Availability of F144-0248, 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 F144-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F144-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F144-0248
  • 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 F144-0248 available by request