4477-2768 Screening compound: N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide

4477-2768 Screening compound: N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide
4477-2768 Screening compound: N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-2768
N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide

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

4477-2768

Molecular Formula

C21H18Cl2N6O2 (C21 H18 Cl2 N6 O2)

Compound Name

N-(3,4-dichlorophenyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide

IUPAC name

N-(34-dichlorophenyl)-2-[(46-dimethylquinazolin-2-yl)amino]-6-oxo-1456-tetrahydropyrimidine-4-carboxamide

SMILES

Cc1ccc2nc(NC(NC(C3)=O)=NC3C(Nc(cc3)cc(Cl)c3Cl)=O)nc(C)c2c1

InChI

InChI=1S/C21H18Cl2N6O2/c1-10-3-6-16-13(7-10)11(2)24-20(26-16)29-21-27-17(9-18(30)28-21)19(31)25-12-4-5-14(22)15(23)8-12/h3-8,17H,9H2,1-2H3,(H,25,31)(H2,24,26,27,28,29,30)/t17-/m0/s1

InChI Key

QHNPYAFRHFRRKI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02233770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.42

Polar Surface Area

88.415

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

4477-2768 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 4477-2768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-2768?
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What is the minimum amount of 4477-2768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-2768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-2768
  • 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 4477-2768 available by request