8006-9456 Screening compound: 3,5-diethyl 4-(4-bromophenyl)-1-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

8006-9456 Screening compound: 3,5-diethyl 4-(4-bromophenyl)-1-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
8006-9456 Screening compound: 3,5-diethyl 4-(4-bromophenyl)-1-(4-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9456
3,5-diethyl 4-(4-bromophenyl)-1-(4-ethoxyphenyl)-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

8006-9456

Molecular Formula

C27H30BrNO5 (C27 H30 BrNO5)

Compound Name

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

IUPAC name

35-diethyl 4-(4-bromophenyl)-1-(4-ethoxyphenyl)-26-dimethyl-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C(c(cc1)ccc1Br)C(C(OCC)=O)=C1C)=C(C)N1c(cc1)ccc1OCC)=O

InChI

InChI=1S/C27H30BrNO5/c1-6-32-22-15-13-21(14-16-22)29-17(4)23(26(30)33-7-2)25(19-9-11-20(28)12-10-19)24(18(29)5)27(31)34-8-3/h9-16,25H,6-8H2,1-5H3

InChI Key

IMBHAHRUWJJUBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.895

Distribution Coefficient, logD

5.895

Water Solubility, LogSw

-5.60

Polar Surface Area

50.035

Acid Dissociation Constant (pKa)

27.71

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8006-9456 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8006-9456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9456?
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What is the minimum amount of 8006-9456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9456
  • 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 8006-9456 available by request