E613-1094 Screening compound: 1-[4-(diphenylmethyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

E613-1094 Screening compound: 1-[4-(diphenylmethyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one
E613-1094 Screening compound: 1-[4-(diphenylmethyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-1094
1-[4-(diphenylmethyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

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

E613-1094

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

1-[4-(diphenylmethyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

IUPAC name

1-[4-(diphenylmethyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-12-oxazol-3-yl]methoxy}ethan-1-one

SMILES

O=C(COCc1noc(-c2ccco2)c1)N(CC1)CCN1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C27H27N3O4/c31-26(20-32-19-23-18-25(34-28-23)24-12-7-17-33-24)29-13-15-30(16-14-29)27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,17-18,27H,13-16,19-20H2

InChI Key

JTNCSWOZTOETRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-4.01

Polar Surface Area

57.964

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

E613-1094 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E613-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-1094?
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What is the minimum amount of E613-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-1094
  • 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 E613-1094 available by request