C447-0270 Screening compound: ethyl 3-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}formamido)-3-[4-(propan-2-yloxy)phenyl]propanoate

C447-0270 Screening compound: ethyl 3-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}formamido)-3-[4-(propan-2-yloxy)phenyl]propanoate
C447-0270 Screening compound: ethyl 3-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}formamido)-3-[4-(propan-2-yloxy)phenyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-0270
ethyl 3-({3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindol-4-yl}formamido)-3-[4-(propan-2-yloxy)phenyl]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

C447-0270

Molecular Formula

C29H31N3O5 (C29 H31 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CC(c(cc1)ccc1OC(C)C)NC(c(cccc1CN2Cc3cnccc3)c1C2=O)=O)=O

InChI

InChI=1S/C29H31N3O5/c1-4-36-26(33)15-25(21-10-12-23(13-11-21)37-19(2)3)31-28(34)24-9-5-8-22-18-32(29(35)27(22)24)17-20-7-6-14-30-16-20/h5-14,16,19,25H,4,15,17-18H2,1-3H3,(H,31,34)/t25-/m0/s1

InChI Key

FQAOECNFFCDOLI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14758602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.618

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-3.56

Polar Surface Area

77.408

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

C447-0270 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Integrin Receptors Targeted library (1715 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
Structure:
  • Pool
Targets:
  • Others

References: we are preparing a list of scientific research reports with C447-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-0270?
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What is the minimum amount of C447-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-0270
  • 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 C447-0270 available by request