4678-1594 Screening compound: propan-2-yl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4678-1594 Screening compound: propan-2-yl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4678-1594 Screening compound: propan-2-yl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-1594
propan-2-yl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

4678-1594

Molecular Formula

C26H29N5O5S (C26 H29 N5 O5 S)

Compound Name

propan-2-yl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 4-{3-[4-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(C)OC(C(C(c1cn(-c2ccccc2)nc1-c(cc1)ccc1S(N(C)C)(=O)=O)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C26H29N5O5S/c1-16(2)36-25(32)22-17(3)27-26(33)28-24(22)21-15-31(19-9-7-6-8-10-19)29-23(21)18-11-13-20(14-12-18)37(34,35)30(4)5/h6-16,24H,1-5H3,(H2,27,28,33)/t24-/m0/s1

InChI Key

NBLHYILDNCKWBZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03305157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.966

Distribution Coefficient, logD

2.838

Water Solubility, LogSw

-3.51

Polar Surface Area

104.421

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

4678-1594 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4678-1594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-1594?
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What is the minimum amount of 4678-1594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-1594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-1594
  • 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 4678-1594 available by request