4678-1601 Screening compound: propan-2-yl 6-methyl-2-oxo-4-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4678-1601 Screening compound: propan-2-yl 6-methyl-2-oxo-4-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4678-1601 Screening compound: propan-2-yl 6-methyl-2-oxo-4-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-1601
propan-2-yl 6-methyl-2-oxo-4-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}-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

4678-1601

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(C(C(c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCC=C)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C27H28N4O4/c1-5-15-34-21-13-11-19(12-14-21)24-22(16-31(30-24)20-9-7-6-8-10-20)25-23(26(32)35-17(2)3)18(4)28-27(33)29-25/h5-14,16-17,25H,1,15H2,2-4H3,(H2,28,29,33)/t25-/m1/s1

InChI Key

QNZZOZWKTXECKV-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03289096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.09

Polar Surface Area

78.175

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

4678-1601 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4678-1601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-1601?
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What is the minimum amount of 4678-1601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-1601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-1601
  • 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 4678-1601 available by request