0764-0688 Screening compound: 1-[(2E)-3-chlorobut-2-en-1-yl]-5-methyl-2,3-dihydro-1H-indole-2,3-dione

0764-0688 Screening compound: 1-[(2E)-3-chlorobut-2-en-1-yl]-5-methyl-2,3-dihydro-1H-indole-2,3-dione
0764-0688 Screening compound: 1-[(2E)-3-chlorobut-2-en-1-yl]-5-methyl-2,3-dihydro-1H-indole-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0764-0688
1-[(2E)-3-chlorobut-2-en-1-yl]-5-methyl-2,3-dihydro-1H-indole-2,3-dione

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

0764-0688

Molecular Formula

C13H12ClNO2 (C13 H12 ClNO2)

Compound Name

1-[(2E)-3-chlorobut-2-en-1-yl]-5-methyl-2,3-dihydro-1H-indole-2,3-dione

IUPAC name

1-[(2E)-3-chlorobut-2-en-1-yl]-5-methyl-23-dihydro-1H-indole-23-dione

SMILES

C/C(/Cl)=C\CN(c(ccc(C)c1)c1C1=O)C1=O

InChI

InChI=1S/C13H12ClNO2/c1-8-3-4-11-10(7-8)12(16)13(17)15(11)6-5-9(2)14/h3-5,7H,6H2,1-2H3

InChI Key

BVGGRKCCHFRIAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00991637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.892

Water Solubility, LogSw

-3.46

Polar Surface Area

29.103

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 0764-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0764-0688?
Check Price and Availability of 0764-0688, 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 0764-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0764-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0764-0688
  • 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 0764-0688 available by request