C430-0271 Screening compound: 3-[(3-chloro-4-methoxyphenyl)amino]-2-(5-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

C430-0271 Screening compound: 3-[(3-chloro-4-methoxyphenyl)amino]-2-(5-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one
C430-0271 Screening compound: 3-[(3-chloro-4-methoxyphenyl)amino]-2-(5-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0271
3-[(3-chloro-4-methoxyphenyl)amino]-2-(5-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

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

C430-0271

Molecular Formula

C21H18ClN3O2 (C21 H18 ClN3 O2)

Compound Name

3-[(3-chloro-4-methoxyphenyl)amino]-2-(5-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[(3-chloro-4-methoxyphenyl)amino]-2-(5-methylpyridin-2-yl)-23-dihydro-1H-isoindol-1-one

SMILES

Cc(cc1)cnc1N(C(c1c2cccc1)Nc(cc1)cc(Cl)c1OC)C2=O

InChI

InChI=1S/C21H18ClN3O2/c1-13-7-10-19(23-12-13)25-20(15-5-3-4-6-16(15)21(25)26)24-14-8-9-18(27-2)17(22)11-14/h3-12,20,24H,1-2H3/t20-/m0/s1

InChI Key

CYQPRFTXUPAIHS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14756438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.626

Distribution Coefficient, logD

4.626

Water Solubility, LogSw

-4.81

Polar Surface Area

40.622

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

C430-0271 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C430-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0271?
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What is the minimum amount of C430-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0271
  • 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 C430-0271 available by request