1082-0474 Screening compound: butyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

1082-0474 Screening compound: butyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
1082-0474 Screening compound: butyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1082-0474
butyl 1,3-dioxo-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

1082-0474

Molecular Formula

C13H13NO4 (C13 H13 NO4)

Compound Name

butyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

butyl 13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

CCCCOC(c(cc1)cc(C(N2)=O)c1C2=O)=O

InChI

InChI=1S/C13H13NO4/c1-2-3-6-18-13(17)8-4-5-9-10(7-8)12(16)14-11(9)15/h4-5,7H,2-3,6H2,1H3,(H,14,15,16)

InChI Key

YXJUNTVNUADVNO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.546

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-3.12

Polar Surface Area

60.052

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

-9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 1082-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1082-0474?
Check Price and Availability of 1082-0474, 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 1082-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1082-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1082-0474
  • 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 1082-0474 available by request