C447-0276 Screening compound: ethyl 3-(4-methylphenyl)-3-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}formamido)propanoate

C447-0276 Screening compound: ethyl 3-(4-methylphenyl)-3-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}formamido)propanoate
C447-0276 Screening compound: ethyl 3-(4-methylphenyl)-3-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}formamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-0276
ethyl 3-(4-methylphenyl)-3-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}formamido)propanoate

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

C447-0276

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

ethyl 3-(4-methylphenyl)-3-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}formamido)propanoate

IUPAC name

ethyl 3-(4-methylphenyl)-3-({3-oxo-2-[(pyridin-3-yl)methyl]-23-dihydro-1H-isoindol-4-yl}formamido)propanoate

SMILES

CCOC(CC(c1ccc(C)cc1)NC(c(cccc1CN2Cc3cnccc3)c1C2=O)=O)=O

InChI

InChI=1S/C27H27N3O4/c1-3-34-24(31)14-23(20-11-9-18(2)10-12-20)29-26(32)22-8-4-7-21-17-30(27(33)25(21)22)16-19-6-5-13-28-15-19/h4-13,15,23H,3,14,16-17H2,1-2H3,(H,29,32)/t23-/m0/s1

InChI Key

ZABLZOQTAGFEQS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14758604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.375

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.39

Polar Surface Area

70.605

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

C447-0276 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Integrin Receptors Targeted library (1715 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C447-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-0276?
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What is the minimum amount of C447-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-0276
  • 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 C447-0276 available by request