F144-0551 Screening compound: 3-{4-[2-(azepan-1-yl)-2-oxoethyl]phenyl}-1-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

F144-0551 Screening compound: 3-{4-[2-(azepan-1-yl)-2-oxoethyl]phenyl}-1-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
F144-0551 Screening compound: 3-{4-[2-(azepan-1-yl)-2-oxoethyl]phenyl}-1-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F144-0551
3-{4-[2-(azepan-1-yl)-2-oxoethyl]phenyl}-1-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

F144-0551

Molecular Formula

C29H28FN3O3 (C29 H28 FN3 O3)

Compound Name

3-{4-[2-(azepan-1-yl)-2-oxoethyl]phenyl}-1-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-{4-[2-(azepan-1-yl)-2-oxoethyl]phenyl}-1-[(2-fluorophenyl)methyl]-1234-tetrahydroquinazoline-24-dione

SMILES

O=C(Cc(cc1)ccc1N(C(c(cccc1)c1N1Cc(cccc2)c2F)=O)C1=O)N1CCCCCC1

InChI

InChI=1S/C29H28FN3O3/c30-25-11-5-3-9-22(25)20-32-26-12-6-4-10-24(26)28(35)33(29(32)36)23-15-13-21(14-16-23)19-27(34)31-17-7-1-2-8-18-31/h3-6,9-16H,1-2,7-8,17-20H2

InChI Key

ZEJUEKITEBJYPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27104670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.324

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.40

Polar Surface Area

47.107

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

F144-0551 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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 F144-0551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F144-0551?
Check Price and Availability of F144-0551, 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 F144-0551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F144-0551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F144-0551
  • 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 F144-0551 available by request