4582-0018 Screening compound: 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-3,4,5,6-tetrahydropyrimidin-4-one

4582-0018 Screening compound: 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-3,4,5,6-tetrahydropyrimidin-4-one
4582-0018 Screening compound: 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-3,4,5,6-tetrahydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0018
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-3,4,5,6-tetrahydropyrimidin-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

4582-0018

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-3,4,5,6-tetrahydropyrimidin-4-one

IUPAC name

2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-3456-tetrahydropyrimidin-4-one

SMILES

CCOc1ccc2nc(NC(NC(C3)=O)=NC3c(cc3)ccc3OC)nc(C)c2c1

InChI

InChI=1S/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,28)/t19-/m1/s1

InChI Key

KQAQQNMXXWWOOB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03010355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

2.104

Water Solubility, LogSw

-4.17

Polar Surface Area

79.719

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

4582-0018 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4582-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0018?
Check Price and Availability of 4582-0018, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4582-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0018
  • 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 4582-0018 available by request