8013-3145 Screening compound: dimethyl 2,2-bis(2-cyanoethyl)malonate

8013-3145 Screening compound: dimethyl 2,2-bis(2-cyanoethyl)malonate
8013-3145 Screening compound: dimethyl 2,2-bis(2-cyanoethyl)malonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3145
dimethyl 2,2-bis(2-cyanoethyl)malonate

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

8013-3145

Molecular Formula

C11H14N2O4 (C11 H14 N2 O4)

Compound Name

dimethyl 2,2-bis(2-cyanoethyl)malonate

IUPAC name

13-dimethyl 22-bis(2-cyanoethyl)propanedioate

SMILES

COC(C(CCC#N)(CCC#N)C(OC)=O)=O

InChI

InChI=1S/C11H14N2O4/c1-16-9(14)11(5-3-7-12,6-4-8-13)10(15)17-2/h3-6H2,1-2H3

InChI Key

UALIRWVABCZAEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.245

Distribution Coefficient, logD

-0.245

Water Solubility, LogSw

0.48

Polar Surface Area

77.841

Acid Dissociation Constant (pKa)

19.97

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.64

References: we are preparing a list of scientific research reports with 8013-3145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3145?
Check Price and Availability of 8013-3145, 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 8013-3145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3145
  • 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 8013-3145 available by request