E600-0545 Screening compound: N-[4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-3-methylbenzamide

E600-0545 Screening compound: N-[4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-3-methylbenzamide
E600-0545 Screening compound: N-[4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E600-0545
N-[4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-3-methylbenzamide

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

E600-0545

Molecular Formula

C18H16ClN3O2 (C18 H16 ClN3 O2)

Compound Name

N-[4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-3-methylbenzamide

IUPAC name

N-[4-(4-chlorophenyl)-6-oxo-1456-tetrahydropyrimidin-2-yl]-3-methylbenzamide

SMILES

Cc1cccc(C(NC(NC(C2)=O)=NC2c(cc2)ccc2Cl)=O)c1

InChI

InChI=1S/C18H16ClN3O2/c1-11-3-2-4-13(9-11)17(24)22-18-20-15(10-16(23)21-18)12-5-7-14(19)8-6-12/h2-9,15H,10H2,1H3,(H2,20,21,22,23,24)/t15-/m0/s1

InChI Key

ZXSXFEHJTPOOEH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14903110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.85

Polar Surface Area

59.234

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

E600-0545 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E600-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E600-0545?
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What is the minimum amount of E600-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E600-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E600-0545
  • 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 E600-0545 available by request