3671-5792 Screening compound: 3,5-diethyl 1-(3,5-dimethylphenyl)-4-(3-ethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

3671-5792 Screening compound: 3,5-diethyl 1-(3,5-dimethylphenyl)-4-(3-ethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
3671-5792 Screening compound: 3,5-diethyl 1-(3,5-dimethylphenyl)-4-(3-ethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3671-5792
3,5-diethyl 1-(3,5-dimethylphenyl)-4-(3-ethoxyphenyl)-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

3671-5792

Molecular Formula

C27H31NO5 (C27 H31 NO5)

Compound Name

3,5-diethyl 1-(3,5-dimethylphenyl)-4-(3-ethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-diethyl 1-(35-dimethylphenyl)-4-(3-ethoxyphenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

CCOC(C(C(c1cc(OCC)ccc1)C(C(OCC)=O)=C1)=CN1c1cc(C)cc(C)c1)=O

InChI

InChI=1S/C27H31NO5/c1-6-31-22-11-9-10-20(15-22)25-23(26(29)32-7-2)16-28(17-24(25)27(30)33-8-3)21-13-18(4)12-19(5)14-21/h9-17,25H,6-8H2,1-5H3

InChI Key

ADJOIPOEINZOEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.726

Distribution Coefficient, logD

5.726

Water Solubility, LogSw

-5.47

Polar Surface Area

51.280

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3671-5792 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3671-5792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3671-5792?
Check Price and Availability of 3671-5792, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3671-5792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3671-5792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3671-5792
  • 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 3671-5792 available by request