Y070-0207 Screening compound: 3,5-diethyl 2,6-dimethyl-4-[4-(4-nitrobenzoyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Y070-0207 Screening compound: 3,5-diethyl 2,6-dimethyl-4-[4-(4-nitrobenzoyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Y070-0207 Screening compound: 3,5-diethyl 2,6-dimethyl-4-[4-(4-nitrobenzoyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0207
3,5-diethyl 2,6-dimethyl-4-[4-(4-nitrobenzoyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

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

Y070-0207

Molecular Formula

C26H26N2O8 (C26 H26 N2 O8)

Compound Name

3,5-diethyl 2,6-dimethyl-4-[4-(4-nitrobenzoyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-diethyl 26-dimethyl-4-[4-(4-nitrobenzoyloxy)phenyl]-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C1c(cc2)ccc2OC(c(cc2)ccc2[N+]([O-])=O)=O)=C(C)NC(C)=C1C(OCC)=O)=O

InChI

InChI=1S/C26H26N2O8/c1-5-34-25(30)21-15(3)27-16(4)22(26(31)35-6-2)23(21)17-9-13-20(14-10-17)36-24(29)18-7-11-19(12-8-18)28(32)33/h7-14,23,27H,5-6H2,1-4H3

InChI Key

IGZZTRPOTHKGPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03462654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

0.358

Water Solubility, LogSw

-4.34

Polar Surface Area

105.621

Acid Dissociation Constant (pKa)

3.27

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

Y070-0207 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0207?
Check Price and Availability of Y070-0207, 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 Y070-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0207
  • 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 Y070-0207 available by request