E611-0037 Screening compound: ethyl 6-[(4-benzylpiperidin-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

E611-0037 Screening compound: ethyl 6-[(4-benzylpiperidin-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
E611-0037 Screening compound: ethyl 6-[(4-benzylpiperidin-1-yl)methyl]-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E611-0037
ethyl 6-[(4-benzylpiperidin-1-yl)methyl]-4-(4-methoxyphenyl)-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

E611-0037

Molecular Formula

C27H33N3O4 (C27 H33 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1OC)N1)=C(CN2CCC(Cc3ccccc3)CC2)NC1=O)=O

InChI

InChI=1S/C27H33N3O4/c1-3-34-26(31)24-23(28-27(32)29-25(24)21-9-11-22(33-2)12-10-21)18-30-15-13-20(14-16-30)17-19-7-5-4-6-8-19/h4-12,20,25H,3,13-18H2,1-2H3,(H2,28,29,32)/t25-/m1/s1

InChI Key

YGGCQAKGPVPKGX-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14903253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.153

Distribution Coefficient, logD

4.153

Water Solubility, LogSw

-4.06

Polar Surface Area

68.057

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

11.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with E611-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E611-0037?
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What is the minimum amount of E611-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E611-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E611-0037
  • 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 E611-0037 available by request