3004-4864 Screening compound: 3,5-dimethyl 4-(3-bromophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

3004-4864 Screening compound: 3,5-dimethyl 4-(3-bromophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
3004-4864 Screening compound: 3,5-dimethyl 4-(3-bromophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3004-4864
3,5-dimethyl 4-(3-bromophenyl)-1,2,6-trimethyl-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

3004-4864

Molecular Formula

C18H20BrNO4 (C18 H20 BrNO4)

Compound Name

3,5-dimethyl 4-(3-bromophenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-(3-bromophenyl)-126-trimethyl-14-dihydropyridine-35-dicarboxylate

SMILES

CC(N(C)C(C)=C(C1c2cccc(Br)c2)C(OC)=O)=C1C(OC)=O

InChI

InChI=1S/C18H20BrNO4/c1-10-14(17(21)23-4)16(12-7-6-8-13(19)9-12)15(18(22)24-5)11(2)20(10)3/h6-9,16H,1-5H3

InChI Key

MRHZJJHVJUUOJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

3.286

Water Solubility, LogSw

-3.45

Polar Surface Area

44.401

Acid Dissociation Constant (pKa)

27.34

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3004-4864 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3004-4864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3004-4864?
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What is the minimum amount of 3004-4864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3004-4864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3004-4864
  • 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 3004-4864 available by request