Y070-0088 Screening compound: 3,5-bis(prop-2-en-1-yl) 4-[5-(4-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Y070-0088 Screening compound: 3,5-bis(prop-2-en-1-yl) 4-[5-(4-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Y070-0088 Screening compound: 3,5-bis(prop-2-en-1-yl) 4-[5-(4-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0088
3,5-bis(prop-2-en-1-yl) 4-[5-(4-chlorophenyl)furan-2-yl]-2,6-dimethyl-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

Y070-0088

Molecular Formula

C25H24ClNO5 (C25 H24 ClNO5)

Compound Name

3,5-bis(prop-2-en-1-yl) 4-[5-(4-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-bis(prop-2-en-1-yl) 4-[5-(4-chlorophenyl)furan-2-yl]-26-dimethyl-14-dihydropyridine-35-dicarboxylate

SMILES

CC(NC(C)=C(C1c2ccc(-c(cc3)ccc3Cl)o2)C(OCC=C)=O)=C1C(OCC=C)=O

InChI

InChI=1S/C25H24ClNO5/c1-5-13-30-24(28)21-15(3)27-16(4)22(25(29)31-14-6-2)23(21)20-12-11-19(32-20)17-7-9-18(26)10-8-17/h5-12,23,27H,1-2,13-14H2,3-4H3

InChI Key

OCXCEKDZWUVCMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.346

Distribution Coefficient, logD

1.580

Water Solubility, LogSw

-6.05

Polar Surface Area

60.849

Acid Dissociation Constant (pKa)

3.63

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y070-0088 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y070-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y070-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0088
  • 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 Y070-0088 available by request