E613-1066 Screening compound: N-(2-chloropyridin-3-yl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-1066 Screening compound: N-(2-chloropyridin-3-yl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-1066 Screening compound: N-(2-chloropyridin-3-yl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-1066
N-(2-chloropyridin-3-yl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

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

E613-1066

Molecular Formula

C15H12ClN3O4 (C15 H12 ClN3 O4)

Compound Name

N-(2-chloropyridin-3-yl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

IUPAC name

N-(2-chloropyridin-3-yl)-2-{[5-(furan-2-yl)-12-oxazol-3-yl]methoxy}acetamide

SMILES

O=C(COCc1noc(-c2ccco2)c1)Nc1cccnc1Cl

InChI

InChI=1S/C15H12ClN3O4/c16-15-11(3-1-5-17-15)18-14(20)9-21-8-10-7-13(23-19-10)12-4-2-6-22-12/h1-7H,8-9H2,(H,18,20)

InChI Key

FSSNBVUJDPAHRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.837

Distribution Coefficient, logD

1.836

Water Solubility, LogSw

-2.56

Polar Surface Area

71.147

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

E613-1066 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E613-1066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-1066?
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What is the minimum amount of E613-1066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-1066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-1066
  • 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 E613-1066 available by request