8012-9981 Screening compound: dimethyl 3-(4-chlorophenyl)-2,2-dicyano-1,1-cyclopropanedicarboxylate

8012-9981 Screening compound: dimethyl 3-(4-chlorophenyl)-2,2-dicyano-1,1-cyclopropanedicarboxylate
8012-9981 Screening compound: dimethyl 3-(4-chlorophenyl)-2,2-dicyano-1,1-cyclopropanedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9981
dimethyl 3-(4-chlorophenyl)-2,2-dicyano-1,1-cyclopropanedicarboxylate

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

8012-9981

Molecular Formula

C15H11ClN2O4 (C15 H11 ClN2 O4)

Compound Name

dimethyl 3-(4-chlorophenyl)-2,2-dicyano-1,1-cyclopropanedicarboxylate

IUPAC name

11-dimethyl 3-(4-chlorophenyl)-22-dicyanocyclopropane-11-dicarboxylate

SMILES

COC(C(C1c(cc2)ccc2Cl)(C1(C#N)C#N)C(OC)=O)=O

InChI

InChI=1S/C15H11ClN2O4/c1-21-12(19)15(13(20)22-2)11(14(15,7-17)8-18)9-3-5-10(16)6-4-9/h3-6,11H,1-2H3/t11-/m1/s1

InChI Key

XLDDVRNKKDXEQE-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03408217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.809

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.66

Polar Surface Area

76.950

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8012-9981 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8012-9981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9981?
Check Price and Availability of 8012-9981, 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 8012-9981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9981
  • 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 8012-9981 available by request