E749-0071 Screening compound: ethyl 2-oxo-4-(thiophen-2-yl)-6-({4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

E749-0071 Screening compound: ethyl 2-oxo-4-(thiophen-2-yl)-6-({4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
E749-0071 Screening compound: ethyl 2-oxo-4-(thiophen-2-yl)-6-({4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E749-0071
ethyl 2-oxo-4-(thiophen-2-yl)-6-({4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methyl)-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

E749-0071

Molecular Formula

C26H34N4O6S (C26 H34 N4 O6 S)

Compound Name

ethyl 2-oxo-4-(thiophen-2-yl)-6-({4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 2-oxo-4-(thiophen-2-yl)-6-({4-[(234-trimethoxyphenyl)methyl]piperazin-1-yl}methyl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1cccs1)N1)=C(CN2CCN(Cc(ccc(OC)c3OC)c3OC)CC2)NC1=O)=O

InChI

InChI=1S/C26H34N4O6S/c1-5-36-25(31)21-18(27-26(32)28-22(21)20-7-6-14-37-20)16-30-12-10-29(11-13-30)15-17-8-9-19(33-2)24(35-4)23(17)34-3/h6-9,14,22H,5,10-13,15-16H2,1-4H3,(H2,27,28,32)/t22-/m0/s1

InChI Key

SECSGCHKGSHFHM-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14915016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.115

Distribution Coefficient, logD

2.115

Water Solubility, LogSw

-2.84

Polar Surface Area

88.408

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

E749-0071 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E749-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E749-0071?
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What is the minimum amount of E749-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E749-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E749-0071
  • 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 E749-0071 available by request