3014-4898 Screening compound: (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3014-4898 Screening compound: (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3014-4898 Screening compound: (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3014-4898
(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-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

3014-4898

Molecular Formula

C26H24N2O5 (C26 H24 N2 O5)

Compound Name

(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c2cc(Oc3ccccc3)ccc2)=O)=C1C(OCc(cc1)ccc1OC)=O

InChI

InChI=1S/C26H24N2O5/c1-17-23(25(29)32-16-18-11-13-20(31-2)14-12-18)24(28-26(30)27-17)19-7-6-10-22(15-19)33-21-8-4-3-5-9-21/h3-15,24H,16H2,1-2H3,(H2,27,28,30)/t24-/m1/s1

InChI Key

HRMPSTLMLQTUFW-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01192745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.343

Distribution Coefficient, logD

4.253

Water Solubility, LogSw

-4.72

Polar Surface Area

70.841

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

3014-4898 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3014-4898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3014-4898?
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What is the minimum amount of 3014-4898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3014-4898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3014-4898
  • 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 3014-4898 available by request