L392-0698 Screening compound: 2-[7-benzyl-2-(4-fluorophenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-(2,3-dimethylphenyl)acetamide

L392-0698 Screening compound: 2-[7-benzyl-2-(4-fluorophenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-(2,3-dimethylphenyl)acetamide
L392-0698 Screening compound: 2-[7-benzyl-2-(4-fluorophenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-(2,3-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L392-0698
2-[7-benzyl-2-(4-fluorophenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-(2,3-dimethylphenyl)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

L392-0698

Molecular Formula

C30H29FN4O2 (C30 H29 FN4 O2)

Compound Name

2-[7-benzyl-2-(4-fluorophenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-(2,3-dimethylphenyl)acetamide

IUPAC name

2-[7-benzyl-2-(4-fluorophenyl)-4-oxo-3H4H5H6H7H8H-pyrido[34-d]pyrimidin-3-yl]-N-(23-dimethylphenyl)acetamide

SMILES

Cc1cccc(NC(CN(C(c(cc2)ccc2F)=NC2=C3CCN(Cc4ccccc4)C2)C3=O)=O)c1C

InChI

InChI=1S/C30H29FN4O2/c1-20-7-6-10-26(21(20)2)32-28(36)19-35-29(23-11-13-24(31)14-12-23)33-27-18-34(16-15-25(27)30(35)37)17-22-8-4-3-5-9-22/h3-14H,15-19H2,1-2H3,(H,32,36)

InChI Key

ZECOQJNWTLDHOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16639365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-4.25

Polar Surface Area

51.246

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

L392-0698 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with L392-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L392-0698?
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What is the minimum amount of L392-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L392-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L392-0698
  • 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 L392-0698 available by request