4341-3101 Screening compound: 3,5-dimethyl 4-[3-methoxy-4-(3-methyl-1-benzofuran-2-carbonyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

4341-3101 Screening compound: 3,5-dimethyl 4-[3-methoxy-4-(3-methyl-1-benzofuran-2-carbonyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
4341-3101 Screening compound: 3,5-dimethyl 4-[3-methoxy-4-(3-methyl-1-benzofuran-2-carbonyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4341-3101
3,5-dimethyl 4-[3-methoxy-4-(3-methyl-1-benzofuran-2-carbonyloxy)phenyl]-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

4341-3101

Molecular Formula

C28H27NO8 (C28 H27 NO8)

Compound Name

3,5-dimethyl 4-[3-methoxy-4-(3-methyl-1-benzofuran-2-carbonyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-[3-methoxy-4-(3-methyl-1-benzofuran-2-carbonyloxy)phenyl]-26-dimethyl-14-dihydropyridine-35-dicarboxylate

SMILES

Cc1c(C(Oc(ccc(C2C(C(OC)=O)=C(C)NC(C)=C2C(OC)=O)c2)c2OC)=O)oc2c1cccc2

InChI

InChI=1S/C28H27NO8/c1-14-18-9-7-8-10-19(18)36-25(14)28(32)37-20-12-11-17(13-21(20)33-4)24-22(26(30)34-5)15(2)29-16(3)23(24)27(31)35-6/h7-13,24,29H,1-6H3

InChI Key

ZGALKYHQJPGOJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02989137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

0.696

Water Solubility, LogSw

-5.02

Polar Surface Area

89.323

Acid Dissociation Constant (pKa)

3.27

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4341-3101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-3101?
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What is the minimum amount of 4341-3101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-3101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-3101
  • 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 4341-3101 available by request