4476-1666 Screening compound: 3,5-bis(propan-2-yl) 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

4476-1666 Screening compound: 3,5-bis(propan-2-yl) 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
4476-1666 Screening compound: 3,5-bis(propan-2-yl) 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-1666
3,5-bis(propan-2-yl) 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-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

4476-1666

Molecular Formula

C31H35N3O4 (C31 H35 N3 O4)

Compound Name

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

IUPAC name

35-bis(propan-2-yl) 26-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-14-dihydropyridine-35-dicarboxylate

SMILES

CC(C)OC(C(C1c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)=C(C)NC(C)=C1C(OC(C)C)=O)=O

InChI

InChI=1S/C31H35N3O4/c1-18(2)37-30(35)26-21(6)32-22(7)27(31(36)38-19(3)4)28(26)25-17-34(24-11-9-8-10-12-24)33-29(25)23-15-13-20(5)14-16-23/h8-19,28,32H,1-7H3

InChI Key

WKQXTPGXRGEXDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03461146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.483

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-5.75

Polar Surface Area

65.852

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

References: we are preparing a list of scientific research reports with 4476-1666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-1666?
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What is the minimum amount of 4476-1666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-1666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-1666
  • 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 4476-1666 available by request