4476-2110 Screening compound: 3,5-di-tert-butyl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

4476-2110 Screening compound: 3,5-di-tert-butyl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
4476-2110 Screening compound: 3,5-di-tert-butyl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-2110
3,5-di-tert-butyl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-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

4476-2110

Molecular Formula

C34H42N4O6S (C34 H42 N4 O6 S)

Compound Name

3,5-di-tert-butyl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-di-tert-butyl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-26-dimethyl-14-dihydropyridine-35-dicarboxylate

SMILES

CC(C)(C)OC(C(C1c2cn(-c3ccccc3)nc2-c(cc2)ccc2S(N(C)C)(=O)=O)=C(C)NC(C)=C1C(OC(C)(C)C)=O)=O

InChI

InChI=1S/C34H42N4O6S/c1-21-27(31(39)43-33(3,4)5)29(28(22(2)35-21)32(40)44-34(6,7)8)26-20-38(24-14-12-11-13-15-24)36-30(26)23-16-18-25(19-17-23)45(41,42)37(9)10/h11-20,29,35H,1-10H3

InChI Key

UQHHPCFMTDZDBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03461187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

634.8

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.142

Distribution Coefficient, logD

2.093

Water Solubility, LogSw

-5.58

Polar Surface Area

98.377

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.20

4476-2110 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4476-2110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-2110?
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What is the minimum amount of 4476-2110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-2110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-2110
  • 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 4476-2110 available by request