4476-1964 Screening compound: 3,5-diethyl 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

4476-1964 Screening compound: 3,5-diethyl 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
4476-1964 Screening compound: 3,5-diethyl 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-1964
3,5-diethyl 2,6-dimethyl-4-[3-(4-nitrophenyl)-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

4476-1964

Molecular Formula

C28H28N4O6 (C28 H28 N4 O6)

Compound Name

3,5-diethyl 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-diethyl 26-dimethyl-4-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C1c2cn(-c3ccccc3)nc2-c(cc2)ccc2[N+]([O-])=O)=C(C)NC(C)=C1C(OCC)=O)=O

InChI

InChI=1S/C28H28N4O6/c1-5-37-27(33)23-17(3)29-18(4)24(28(34)38-6-2)25(23)22-16-31(20-10-8-7-9-11-20)30-26(22)19-12-14-21(15-13-19)32(35)36/h7-16,25,29H,5-6H2,1-4H3

InChI Key

TWLJRCWUIKSLLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03461185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.095

Distribution Coefficient, logD

1.046

Water Solubility, LogSw

-4.78

Polar Surface Area

99.876

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4476-1964 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 4476-1964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-1964?
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What is the minimum amount of 4476-1964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-1964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-1964
  • 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 4476-1964 available by request