2253-1037 Screening compound: 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 3-methoxybenzoate

2253-1037 Screening compound: 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 3-methoxybenzoate
2253-1037 Screening compound: 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2253-1037
3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 3-methoxybenzoate

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

2253-1037

Molecular Formula

C22H21NO5 (C22 H21 NO5)

Compound Name

3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 3-methoxybenzoate

IUPAC name

3-(13-dioxo-octahydro-1H-isoindol-2-yl)phenyl 3-methoxybenzoate

SMILES

COc1cccc(C(Oc2cccc(N(C(C3C4CCCC3)=O)C4=O)c2)=O)c1

InChI

InChI=1S/C22H21NO5/c1-27-16-8-4-6-14(12-16)22(26)28-17-9-5-7-15(13-17)23-20(24)18-10-2-3-11-19(18)21(23)25/h4-9,12-13,18-19H,2-3,10-11H2,1H3

InChI Key

MDQMIORZDNAUOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.30

Polar Surface Area

56.994

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

2253-1037 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 2253-1037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2253-1037?
Check Price and Availability of 2253-1037, 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 2253-1037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2253-1037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2253-1037
  • 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 2253-1037 available by request