5071-7804 Screening compound: 3,5-dimethyl 1-{2-[3,5-bis(methoxycarbonyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-1-yl]ethyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

5071-7804 Screening compound: 3,5-dimethyl 1-{2-[3,5-bis(methoxycarbonyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-1-yl]ethyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
5071-7804 Screening compound: 3,5-dimethyl 1-{2-[3,5-bis(methoxycarbonyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-1-yl]ethyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5071-7804
3,5-dimethyl 1-{2-[3,5-bis(methoxycarbonyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-1-yl]ethyl}-4-(thiophen-2-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

5071-7804

Molecular Formula

C28H28N2O8S2 (C28 H28 N2 O8 S2)

Compound Name

3,5-dimethyl 1-{2-[3,5-bis(methoxycarbonyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-1-yl]ethyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 1-{2-[35-bis(methoxycarbonyl)-4-(thiophen-2-yl)-14-dihydropyridin-1-yl]ethyl}-4-(thiophen-2-yl)-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c2cccs2)=CN(CCN(C=C(C2c3cccs3)C(OC)=O)C=C2C(OC)=O)C=C1C(OC)=O)=O

InChI

InChI=1S/C28H28N2O8S2/c1-35-25(31)17-13-29(14-18(26(32)36-2)23(17)21-7-5-11-39-21)9-10-30-15-19(27(33)37-3)24(22-8-6-12-40-22)20(16-30)28(34)38-4/h5-8,11-16,23-24H,9-10H2,1-4H3

InChI Key

WZPDQEQVCWZUMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.962

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.11

Polar Surface Area

92.580

Acid Dissociation Constant (pKa)

33.35

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 5071-7804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5071-7804?
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What is the minimum amount of 5071-7804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5071-7804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5071-7804
  • 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 5071-7804 available by request