C447-1504 Screening compound: ethyl 4-(1-oxo-7-{[(thiophen-2-yl)methyl]carbamoyl}-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

C447-1504 Screening compound: ethyl 4-(1-oxo-7-{[(thiophen-2-yl)methyl]carbamoyl}-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
C447-1504 Screening compound: ethyl 4-(1-oxo-7-{[(thiophen-2-yl)methyl]carbamoyl}-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-1504
ethyl 4-(1-oxo-7-{[(thiophen-2-yl)methyl]carbamoyl}-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

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

C447-1504

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

ethyl 4-(1-oxo-7-{[(thiophen-2-yl)methyl]carbamoyl}-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

IUPAC name

ethyl 4-(1-oxo-7-{[(thiophen-2-yl)methyl]carbamoyl}-23-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1N(Cc1cccc(C(NCc2cccs2)=O)c11)C1=O)=O

InChI

InChI=1S/C22H25N3O4S/c1-2-29-22(28)24-10-8-16(9-11-24)25-14-15-5-3-7-18(19(15)21(25)27)20(26)23-13-17-6-4-12-30-17/h3-7,12,16H,2,8-11,13-14H2,1H3,(H,23,26)

InChI Key

WSWKJSBEPXTLIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.481

Distribution Coefficient, logD

3.481

Water Solubility, LogSw

-3.73

Polar Surface Area

64.484

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C447-1504 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C447-1504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-1504?
Check Price and Availability of C447-1504, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C447-1504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-1504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-1504
  • 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 C447-1504 available by request