0983-0059 Screening compound: octyl 1,3-dioxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxylate

0983-0059 Screening compound: octyl 1,3-dioxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxylate
0983-0059 Screening compound: octyl 1,3-dioxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0983-0059
octyl 1,3-dioxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindole-5-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

0983-0059

Molecular Formula

C29H29NO5 (C29 H29 NO5)

Compound Name

octyl 1,3-dioxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

octyl 13-dioxo-2-(4-phenoxyphenyl)-23-dihydro-1H-isoindole-5-carboxylate

SMILES

CCCCCCCCOC(c(cc1)cc(C(N2c(cc3)ccc3Oc3ccccc3)=O)c1C2=O)=O

InChI

InChI=1S/C29H29NO5/c1-2-3-4-5-6-10-19-34-29(33)21-13-18-25-26(20-21)28(32)30(27(25)31)22-14-16-24(17-15-22)35-23-11-8-7-9-12-23/h7-9,11-18,20H,2-6,10,19H2,1H3

InChI Key

SLODHPDPLQMTOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00595261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.180

Distribution Coefficient, logD

8.180

Water Solubility, LogSw

-5.77

Polar Surface Area

56.675

Acid Dissociation Constant (pKa)

28.18

Base Dissociation Constant (pKb)

-7.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

0983-0059 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 0983-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0983-0059?
Check Price and Availability of 0983-0059, 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 0983-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0983-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0983-0059
  • 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 0983-0059 available by request