C447-1539 Screening compound: ethyl 4-(1-oxo-7-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

C447-1539 Screening compound: ethyl 4-(1-oxo-7-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
C447-1539 Screening compound: ethyl 4-(1-oxo-7-{[4-(piperidine-1-sulfonyl)phenyl]carbamoyl}-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-1539
ethyl 4-(1-oxo-7-{[4-(piperidine-1-sulfonyl)phenyl]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

C447-1539

Molecular Formula

C28H34N4O6S (C28 H34 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCC1N(Cc1cccc(C(Nc(cc2)ccc2S(N2CCCCC2)(=O)=O)=O)c11)C1=O)=O

InChI

InChI=1S/C28H34N4O6S/c1-2-38-28(35)30-17-13-22(14-18-30)32-19-20-7-6-8-24(25(20)27(32)34)26(33)29-21-9-11-23(12-10-21)39(36,37)31-15-4-3-5-16-31/h6-12,22H,2-5,13-19H2,1H3,(H,29,33)

InChI Key

DMFVGDAXMIAJIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.640

Distribution Coefficient, logD

3.619

Water Solubility, LogSw

-3.95

Polar Surface Area

93.854

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

C447-1539 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C447-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-1539?
Check Price and Availability of C447-1539, 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 C447-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-1539
  • 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 C447-1539 available by request