E777-0031 Screening compound: ethyl 4-(4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

E777-0031 Screening compound: ethyl 4-(4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
E777-0031 Screening compound: ethyl 4-(4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E777-0031
ethyl 4-(4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

E777-0031

Molecular Formula

C20H28N4O3 (C20 H28 N4 O3)

Compound Name

ethyl 4-(4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccc(C)cc1)N1)=C(CN2CCN(C)CC2)NC1=O)=O

InChI

InChI=1S/C20H28N4O3/c1-4-27-19(25)17-16(13-24-11-9-23(3)10-12-24)21-20(26)22-18(17)15-7-5-14(2)6-8-15/h5-8,18H,4,9-13H2,1-3H3,(H2,21,22,26)/t18-/m1/s1

InChI Key

YWVWISPGLBCDFC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD07155046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.369

Distribution Coefficient, logD

1.369

Water Solubility, LogSw

-2.14

Polar Surface Area

64.261

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

10.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E777-0031 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E777-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E777-0031?
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What is the minimum amount of E777-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E777-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E777-0031
  • 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 E777-0031 available by request