4181-6972 Screening compound: 2-(2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

4181-6972 Screening compound: 2-(2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
4181-6972 Screening compound: 2-(2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4181-6972
2-(2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

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

4181-6972

Molecular Formula

C20H15N3O5 (C20 H15 N3 O5)

Compound Name

2-(2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

IUPAC name

2-(2-methoxyphenyl)-N-(5-methyl-12-oxazol-3-yl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxamide

SMILES

Cc1cc(NC(c(cc2)cc(C(N3c(cccc4)c4OC)=O)c2C3=O)=O)no1

InChI

InChI=1S/C20H15N3O5/c1-11-9-17(22-28-11)21-18(24)12-7-8-13-14(10-12)20(26)23(19(13)25)15-5-3-4-6-16(15)27-2/h3-10H,1-2H3,(H,21,22,24)

InChI Key

FFNCXENZWUJLOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01974359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

1.907

Water Solubility, LogSw

-3.67

Polar Surface Area

81.096

Acid Dissociation Constant (pKa)

6.11

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4181-6972 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4181-6972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4181-6972?
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What is the minimum amount of 4181-6972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4181-6972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4181-6972
  • 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 4181-6972 available by request