4476-0252 Screening compound: 3,5-bis(prop-2-en-1-yl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

4476-0252 Screening compound: 3,5-bis(prop-2-en-1-yl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
4476-0252 Screening compound: 3,5-bis(prop-2-en-1-yl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-0252
3,5-bis(prop-2-en-1-yl) 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

4476-0252

Molecular Formula

C21H22N2O6 (C21 H22 N2 O6)

Compound Name

3,5-bis(prop-2-en-1-yl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-bis(prop-2-en-1-yl) 26-dimethyl-4-(3-nitrophenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

CC(NC(C)=C(C1c2cccc([N+]([O-])=O)c2)C(OCC=C)=O)=C1C(OCC=C)=O

InChI

InChI=1S/C21H22N2O6/c1-5-10-28-20(24)17-13(3)22-14(4)18(21(25)29-11-6-2)19(17)15-8-7-9-16(12-15)23(26)27/h5-9,12,19,22H,1-2,10-11H2,3-4H3

InChI Key

SWWQWPJRZSPMMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02220869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

-0.279

Water Solubility, LogSw

-3.54

Polar Surface Area

85.831

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 4476-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-0252?
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What is the minimum amount of 4476-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-0252
  • 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 4476-0252 available by request