4476-4086 Screening compound: 3,5-dimethyl 4-[5-(2,3-dichlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

4476-4086 Screening compound: 3,5-dimethyl 4-[5-(2,3-dichlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
4476-4086 Screening compound: 3,5-dimethyl 4-[5-(2,3-dichlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-4086
3,5-dimethyl 4-[5-(2,3-dichlorophenyl)furan-2-yl]-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

4476-4086

Molecular Formula

C21H19Cl2NO5 (C21 H19 Cl2 NO5)

Compound Name

3,5-dimethyl 4-[5-(2,3-dichlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-[5-(23-dichlorophenyl)furan-2-yl]-26-dimethyl-14-dihydropyridine-35-dicarboxylate

SMILES

CC(NC(C)=C(C1c2ccc(-c3cccc(Cl)c3Cl)o2)C(OC)=O)=C1C(OC)=O

InChI

InChI=1S/C21H19Cl2NO5/c1-10-16(20(25)27-3)18(17(11(2)24-10)21(26)28-4)15-9-8-14(29-15)12-6-5-7-13(22)19(12)23/h5-9,18,24H,1-4H3

InChI Key

FBYPVBGLURAFHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01958271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.950

Distribution Coefficient, logD

0.669

Water Solubility, LogSw

-5.06

Polar Surface Area

61.101

Acid Dissociation Constant (pKa)

3.12

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4476-4086 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4476-4086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-4086?
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What is the minimum amount of 4476-4086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-4086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-4086
  • 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 4476-4086 available by request