4476-1674 Screening compound: 3,5-bis(propan-2-yl) 2,6-dimethyl-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

4476-1674 Screening compound: 3,5-bis(propan-2-yl) 2,6-dimethyl-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
4476-1674 Screening compound: 3,5-bis(propan-2-yl) 2,6-dimethyl-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-1674
3,5-bis(propan-2-yl) 2,6-dimethyl-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-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

4476-1674

Molecular Formula

C28H31N3O4S (C28 H31 N3 O4 S)

Compound Name

3,5-bis(propan-2-yl) 2,6-dimethyl-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-bis(propan-2-yl) 26-dimethyl-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-14-dihydropyridine-35-dicarboxylate

SMILES

CC(C)OC(C(C1c2cn(-c3ccccc3)nc2-c2cccs2)=C(C)NC(C)=C1C(OC(C)C)=O)=O

InChI

InChI=1S/C28H31N3O4S/c1-16(2)34-27(32)23-18(5)29-19(6)24(28(33)35-17(3)4)25(23)21-15-31(20-11-8-7-9-12-20)30-26(21)22-13-10-14-36-22/h7-17,25,29H,1-6H3

InChI Key

OVURACHIJMQNSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03461152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.009

Distribution Coefficient, logD

1.960

Water Solubility, LogSw

-5.47

Polar Surface Area

66.870

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with 4476-1674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-1674?
Check Price and Availability of 4476-1674, 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 4476-1674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-1674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-1674
  • 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 4476-1674 available by request