C614-0339 Screening compound: 2-(4-chlorophenyl)-3-[(3,4,5-trimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C614-0339 Screening compound: 2-(4-chlorophenyl)-3-[(3,4,5-trimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C614-0339 Screening compound: 2-(4-chlorophenyl)-3-[(3,4,5-trimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0339
2-(4-chlorophenyl)-3-[(3,4,5-trimethoxyphenyl)amino]-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

C614-0339

Molecular Formula

C23H21ClN2O4 (C23 H21 ClN2 O4)

Compound Name

2-(4-chlorophenyl)-3-[(3,4,5-trimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-(4-chlorophenyl)-3-[(345-trimethoxyphenyl)amino]-23-dihydro-1H-isoindol-1-one

SMILES

COc1cc(NC(c(cccc2)c2C2=O)N2c(cc2)ccc2Cl)cc(OC)c1OC

InChI

InChI=1S/C23H21ClN2O4/c1-28-19-12-15(13-20(29-2)21(19)30-3)25-22-17-6-4-5-7-18(17)23(27)26(22)16-10-8-14(24)9-11-16/h4-13,22,25H,1-3H3/t22-/m0/s1

InChI Key

GJJQLXCSLLEMKT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14776140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.029

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.48

Polar Surface Area

47.368

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C614-0339 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C614-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0339?
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What is the minimum amount of C614-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0339
  • 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 C614-0339 available by request