4678-1607 Screening compound: propan-2-yl 6-methyl-4-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4678-1607 Screening compound: propan-2-yl 6-methyl-4-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4678-1607 Screening compound: propan-2-yl 6-methyl-4-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-1607
propan-2-yl 6-methyl-4-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-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

4678-1607

Molecular Formula

C28H30N4O4 (C28 H30 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(C(C(c1cn(-c2ccccc2)nc1-c(cc1)cc(C)c1OCC=C)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C28H30N4O4/c1-6-14-35-23-13-12-20(15-18(23)4)25-22(16-32(31-25)21-10-8-7-9-11-21)26-24(27(33)36-17(2)3)19(5)29-28(34)30-26/h6-13,15-17,26H,1,14H2,2-5H3,(H2,29,30,34)/t26-/m1/s1

InChI Key

UBWMJXNHHSQMBL-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03293335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

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

5.012

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-4.67

Polar Surface Area

78.261

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4678-1607 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4678-1607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-1607?
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What is the minimum amount of 4678-1607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-1607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-1607
  • 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 4678-1607 available by request