E749-0036 Screening compound: ethyl 6-[(4-benzylpiperazin-1-yl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

E749-0036 Screening compound: ethyl 6-[(4-benzylpiperazin-1-yl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
E749-0036 Screening compound: ethyl 6-[(4-benzylpiperazin-1-yl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E749-0036
ethyl 6-[(4-benzylpiperazin-1-yl)methyl]-2-oxo-4-(thiophen-2-yl)-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

E749-0036

Molecular Formula

C23H28N4O3S (C23 H28 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c1cccs1)N1)=C(CN2CCN(Cc3ccccc3)CC2)NC1=O)=O

InChI

InChI=1S/C23H28N4O3S/c1-2-30-22(28)20-18(24-23(29)25-21(20)19-9-6-14-31-19)16-27-12-10-26(11-13-27)15-17-7-4-3-5-8-17/h3-9,14,21H,2,10-13,15-16H2,1H3,(H2,24,25,29)/t21-/m0/s1

InChI Key

YWXSBLWPYAOGPT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14915001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.167

Distribution Coefficient, logD

2.167

Water Solubility, LogSw

-2.67

Polar Surface Area

65.344

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E749-0036 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E749-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E749-0036?
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What is the minimum amount of E749-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E749-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E749-0036
  • 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 E749-0036 available by request