5991-0509 Screening compound: 3,5-dimethyl 1-{2-[3,5-bis(methoxycarbonyl)-4-(3-methoxyphenyl)-1,4-dihydropyridin-1-yl]ethyl}-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

5991-0509 Screening compound: 3,5-dimethyl 1-{2-[3,5-bis(methoxycarbonyl)-4-(3-methoxyphenyl)-1,4-dihydropyridin-1-yl]ethyl}-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
5991-0509 Screening compound: 3,5-dimethyl 1-{2-[3,5-bis(methoxycarbonyl)-4-(3-methoxyphenyl)-1,4-dihydropyridin-1-yl]ethyl}-4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5991-0509
3,5-dimethyl 1-{2-[3,5-bis(methoxycarbonyl)-4-(3-methoxyphenyl)-1,4-dihydropyridin-1-yl]ethyl}-4-(3-methoxyphenyl)-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

5991-0509

Molecular Formula

C34H36N2O10 (C34 H36 N2 O10)

Compound Name

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

IUPAC name

35-dimethyl 1-{2-[35-bis(methoxycarbonyl)-4-(3-methoxyphenyl)-14-dihydropyridin-1-yl]ethyl}-4-(3-methoxyphenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c2cc(OC)ccc2)=CN(CCN(C=C(C2c3cc(OC)ccc3)C(OC)=O)C=C2C(OC)=O)C=C1C(OC)=O)=O

InChI

InChI=1S/C34H36N2O10/c1-41-23-11-7-9-21(15-23)29-25(31(37)43-3)17-35(18-26(29)32(38)44-4)13-14-36-19-27(33(39)45-5)30(28(20-36)34(40)46-6)22-10-8-12-24(16-22)42-2/h7-12,15-20,29-30H,13-14H2,1-6H3

InChI Key

QARRAWQITWYRJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03312534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

632.67

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.595

Distribution Coefficient, logD

3.595

Water Solubility, LogSw

-3.63

Polar Surface Area

105.631

Acid Dissociation Constant (pKa)

28.93

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 5991-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 5991-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5991-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5991-0509
  • 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 5991-0509 available by request