8006-9536 Screening compound: 3,5-diethyl 1-(4-bromophenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

8006-9536 Screening compound: 3,5-diethyl 1-(4-bromophenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
8006-9536 Screening compound: 3,5-diethyl 1-(4-bromophenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9536
3,5-diethyl 1-(4-bromophenyl)-2,6-dimethyl-4-(3-nitrophenyl)-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

8006-9536

Molecular Formula

C25H25BrN2O6 (C25 H25 BrN2 O6)

Compound Name

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

IUPAC name

35-diethyl 1-(4-bromophenyl)-26-dimethyl-4-(3-nitrophenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C(c1cc([N+]([O-])=O)ccc1)C(C(OCC)=O)=C1C)=C(C)N1c(cc1)ccc1Br)=O

InChI

InChI=1S/C25H25BrN2O6/c1-5-33-24(29)21-15(3)27(19-12-10-18(26)11-13-19)16(4)22(25(30)34-6-2)23(21)17-8-7-9-20(14-17)28(31)32/h7-14,23H,5-6H2,1-4H3

InChI Key

JPENBPATZRGJRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.391

Distribution Coefficient, logD

5.391

Water Solubility, LogSw

-5.44

Polar Surface Area

76.293

Acid Dissociation Constant (pKa)

27.71

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

8006-9536 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-9536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9536?
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What is the minimum amount of 8006-9536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9536
  • 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 8006-9536 available by request