8018-7962 Screening compound: 3-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-2-hydroxypropyl 4-methylbenzoate

8018-7962 Screening compound: 3-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-2-hydroxypropyl 4-methylbenzoate
8018-7962 Screening compound: 3-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-2-hydroxypropyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7962
3-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-2-hydroxypropyl 4-methylbenzoate

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

8018-7962

Molecular Formula

C22H21N3O5 (C22 H21 N3 O5)

Compound Name

3-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-2-hydroxypropyl 4-methylbenzoate

IUPAC name

3-(4-benzamido-2-oxo-12-dihydropyrimidin-1-yl)-2-hydroxypropyl 4-methylbenzoate

SMILES

Cc(cc1)ccc1C(OCC(CN(C=CC(NC(c1ccccc1)=O)=N1)C1=O)O)=O

InChI

InChI=1S/C22H21N3O5/c1-15-7-9-17(10-8-15)21(28)30-14-18(26)13-25-12-11-19(24-22(25)29)23-20(27)16-5-3-2-4-6-16/h2-12,18,26H,13-14H2,1H3,(H,23,24,27,29)/t18-/m0/s1

InChI Key

CVQPKGHBQPGAEP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08532357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.28

Polar Surface Area

86.806

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

8018-7962 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-7962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7962?
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What is the minimum amount of 8018-7962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7962
  • 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 8018-7962 available by request