2556-2143 Screening compound: 3,5-bis(propan-2-yl) 4-(2H-1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

2556-2143 Screening compound: 3,5-bis(propan-2-yl) 4-(2H-1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
2556-2143 Screening compound: 3,5-bis(propan-2-yl) 4-(2H-1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2556-2143
3,5-bis(propan-2-yl) 4-(2H-1,3-benzodioxol-5-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

2556-2143

Molecular Formula

C22H27NO6 (C22 H27 NO6)

Compound Name

3,5-bis(propan-2-yl) 4-(2H-1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-bis(propan-2-yl) 4-(2H-13-benzodioxol-5-yl)-26-dimethyl-14-dihydropyridine-35-dicarboxylate

SMILES

CC(C)OC(C(C1c(cc2)cc3c2OCO3)=C(C)NC(C)=C1C(OC(C)C)=O)=O

InChI

InChI=1S/C22H27NO6/c1-11(2)28-21(24)18-13(5)23-14(6)19(22(25)29-12(3)4)20(18)15-7-8-16-17(9-15)27-10-26-16/h7-9,11-12,20,23H,10H2,1-6H3

InChI Key

UIPJYZRXOKTNKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01794312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

0.177

Water Solubility, LogSw

-4.30

Polar Surface Area

68.335

Acid Dissociation Constant (pKa)

3.27

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

2556-2143 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 2556-2143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2556-2143?
Check Price and Availability of 2556-2143, 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 2556-2143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2556-2143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2556-2143
  • 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 2556-2143 available by request