3875-0160 Screening compound: 1,7-dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate

3875-0160 Screening compound: 1,7-dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate
3875-0160 Screening compound: 1,7-dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3875-0160
1,7-dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate

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

3875-0160

Molecular Formula

C18H23NO6 (C18 H23 NO6)

Compound Name

1,7-dimethyl 4-cyano-4-(3,4-dimethoxyphenyl)heptanedioate

IUPAC name

17-dimethyl 4-cyano-4-(34-dimethoxyphenyl)heptanedioate

SMILES

COC(CCC(CCC(OC)=O)(c(cc1)cc(OC)c1OC)C#N)=O

InChI

InChI=1S/C18H23NO6/c1-22-14-6-5-13(11-15(14)23-2)18(12-19,9-7-16(20)24-3)10-8-17(21)25-4/h5-6,11H,7-10H2,1-4H3

InChI Key

DVVFXLDMZOPUKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00110734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.696

Distribution Coefficient, logD

1.696

Water Solubility, LogSw

-2.03

Polar Surface Area

73.713

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

-8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 3875-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3875-0160?
Check Price and Availability of 3875-0160, 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 3875-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3875-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3875-0160
  • 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 3875-0160 available by request