Y070-0224 Screening compound: 3,5-dimethyl 2,6-dimethyl-4-[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Y070-0224 Screening compound: 3,5-dimethyl 2,6-dimethyl-4-[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Y070-0224 Screening compound: 3,5-dimethyl 2,6-dimethyl-4-[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0224
3,5-dimethyl 2,6-dimethyl-4-[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]-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

Y070-0224

Molecular Formula

C29H31N3O4 (C29 H31 N3 O4)

Compound Name

3,5-dimethyl 2,6-dimethyl-4-[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 26-dimethyl-4-[1-phenyl-3-(246-trimethylphenyl)-1H-pyrazol-4-yl]-14-dihydropyridine-35-dicarboxylate

SMILES

Cc1cc(C)c(-c(c(C2C(C(OC)=O)=C(C)NC(C)=C2C(OC)=O)c2)nn2-c2ccccc2)c(C)c1

InChI

InChI=1S/C29H31N3O4/c1-16-13-17(2)23(18(3)14-16)27-22(15-32(31-27)21-11-9-8-10-12-21)26-24(28(33)35-6)19(4)30-20(5)25(26)29(34)36-7/h8-15,26,30H,1-7H3

InChI Key

RSMREFBBHSRKAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03088701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.722

Distribution Coefficient, logD

1.673

Water Solubility, LogSw

-5.37

Polar Surface Area

67.334

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

Y070-0224 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 Y070-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0224?
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What is the minimum amount of Y070-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0224
  • 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 Y070-0224 available by request