0800-0823 Screening compound: N-(4-chlorophenyl)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-2-methoxybenzamide

0800-0823 Screening compound: N-(4-chlorophenyl)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-2-methoxybenzamide
0800-0823 Screening compound: N-(4-chlorophenyl)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-0823
N-(4-chlorophenyl)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-2-methoxybenzamide

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

0800-0823

Molecular Formula

C26H23ClN2O4 (C26 H23 ClN2 O4)

Compound Name

N-(4-chlorophenyl)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-2-methoxybenzamide

IUPAC name

N-(4-chlorophenyl)-N-[4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)butyl]-2-methoxybenzamide

SMILES

COc(cccc1)c1C(N(CCCCN(C(c1c2cccc1)=O)C2=O)c(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H23ClN2O4/c1-33-23-11-5-4-10-22(23)26(32)28(19-14-12-18(27)13-15-19)16-6-7-17-29-24(30)20-8-2-3-9-21(20)25(29)31/h2-5,8-15H,6-7,16-17H2,1H3

InChI Key

OYDRNFIXJSCPKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

4.760

Water Solubility, LogSw

-4.93

Polar Surface Area

52.701

Acid Dissociation Constant (pKa)

27.21

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

0800-0823 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 0800-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-0823?
Check Price and Availability of 0800-0823, 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 0800-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-0823
  • 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 0800-0823 available by request