4476-4930 Screening compound: 3,5-bis(prop-2-en-1-yl) 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

4476-4930 Screening compound: 3,5-bis(prop-2-en-1-yl) 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
4476-4930 Screening compound: 3,5-bis(prop-2-en-1-yl) 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-4930
3,5-bis(prop-2-en-1-yl) 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-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

4476-4930

Molecular Formula

C30H28BrN3O4 (C30 H28 BrN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(C)=C(C1c2cn(-c3ccccc3)nc2-c(cc2)ccc2Br)C(OCC=C)=O)=C1C(OCC=C)=O

InChI

InChI=1S/C30H28BrN3O4/c1-5-16-37-29(35)25-19(3)32-20(4)26(30(36)38-17-6-2)27(25)24-18-34(23-10-8-7-9-11-23)33-28(24)21-12-14-22(31)15-13-21/h5-15,18,27,32H,1-2,16-17H2,3-4H3

InChI Key

QSNHXQMLDAFBAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01953819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.012

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-5.59

Polar Surface Area

67.082

Acid Dissociation Constant (pKa)

3.87

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 4476-4930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-4930?
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What is the minimum amount of 4476-4930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-4930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-4930
  • 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 4476-4930 available by request