Y070-0144 Screening compound: 3,5-dimethyl 4-[4-(2-bromobenzoyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Y070-0144 Screening compound: 3,5-dimethyl 4-[4-(2-bromobenzoyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Y070-0144 Screening compound: 3,5-dimethyl 4-[4-(2-bromobenzoyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0144
3,5-dimethyl 4-[4-(2-bromobenzoyloxy)phenyl]-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

Y070-0144

Molecular Formula

C24H22BrNO6 (C24 H22 BrNO6)

Compound Name

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

IUPAC name

35-dimethyl 4-[4-(2-bromobenzoyloxy)phenyl]-26-dimethyl-14-dihydropyridine-35-dicarboxylate

SMILES

CC(NC(C)=C(C1c(cc2)ccc2OC(c(cccc2)c2Br)=O)C(OC)=O)=C1C(OC)=O

InChI

InChI=1S/C24H22BrNO6/c1-13-19(23(28)30-3)21(20(14(2)26-13)24(29)31-4)15-9-11-16(12-10-15)32-22(27)17-7-5-6-8-18(17)25/h5-12,21,26H,1-4H3

InChI Key

QJWYBRCTXTXZKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03462606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.190

Distribution Coefficient, logD

0.062

Water Solubility, LogSw

-4.55

Polar Surface Area

73.080

Acid Dissociation Constant (pKa)

3.27

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

Y070-0144 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y070-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0144?
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What is the minimum amount of Y070-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0144
  • 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 Y070-0144 available by request