8018-8166 Screening compound: 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-3,4-dihydropyrimidin-4-one

8018-8166 Screening compound: 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-3,4-dihydropyrimidin-4-one
8018-8166 Screening compound: 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8166
2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-3,4-dihydropyrimidin-4-one

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

8018-8166

Molecular Formula

C21H19N5O3 (C21 H19 N5 O3)

Compound Name

2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-3,4-dihydropyrimidin-4-one

IUPAC name

2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-34-dihydropyrimidin-4-one

SMILES

Cc(c1ccc2)nc(NC(N3)=NC(c(cc4)ccc4OC)=CC3=O)nc1c2OC

InChI

InChI=1S/C21H19N5O3/c1-12-15-5-4-6-17(29-3)19(15)25-20(22-12)26-21-23-16(11-18(27)24-21)13-7-9-14(28-2)10-8-13/h4-11H,1-3H3,(H2,22,23,24,25,26,27)

InChI Key

XMCYEELTPYXVKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08132675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.403

Distribution Coefficient, logD

3.387

Water Solubility, LogSw

-3.74

Polar Surface Area

80.528

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8018-8166 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8018-8166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8166?
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What is the minimum amount of 8018-8166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8166
  • 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 8018-8166 available by request