4151-0058 Screening compound: N-(3,4-DICHLOROPHENYL)-2-[(4,7-DIMETHYLQUINAZOLIN-2-YL)AMINO]-6-OXO-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDE

4151-0058 Screening compound: N-(3,4-DICHLOROPHENYL)-2-[(4,7-DIMETHYLQUINAZOLIN-2-YL)AMINO]-6-OXO-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDE
4151-0058 Screening compound: N-(3,4-DICHLOROPHENYL)-2-[(4,7-DIMETHYLQUINAZOLIN-2-YL)AMINO]-6-OXO-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4151-0058
N-(3,4-DICHLOROPHENYL)-2-[(4,7-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

4151-0058

Molecular Formula

C21H18Cl2N6O2 (C21 H18 Cl2 N6 O2)

Compound Name

N-(3,4-DICHLOROPHENYL)-2-[(4,7-DIMETHYLQUINAZOLIN-2-YL)AMINO]-6-OXO-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDE

IUPAC name

N-(34-dichlorophenyl)-2-[(47-dimethylquinazolin-2-yl)amino]-6-oxo-1456-tetrahydropyrimidine-4-carboxamide

SMILES

Cc1ccc(c(C)nc(NC(NC(C2)=O)=NC2C(Nc(cc2)cc(Cl)c2Cl)=O)n2)c2c1

InChI

InChI=1S/C21H18Cl2N6O2/c1-10-3-5-13-11(2)24-20(26-16(13)7-10)29-21-27-17(9-18(30)28-21)19(31)25-12-4-6-14(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

QIBUBIKEVBNENC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02816949

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

4.690

Distribution Coefficient, logD

3.490

Water Solubility, LogSw

-4.74

Polar Surface Area

88.415

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

4151-0058 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 4151-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4151-0058?
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What is the minimum amount of 4151-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4151-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4151-0058
  • 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 4151-0058 available by request