E613-1041 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-1041 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-1041 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-1041
N-(3-chloro-4-fluorophenyl)-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

E613-1041

Molecular Formula

C16H12ClFN2O4 (C16 H12 ClFN2 O4)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{[5-(furan-2-yl)-12-oxazol-3-yl]methoxy}acetamide

SMILES

O=C(COCc1noc(-c2ccco2)c1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C16H12ClFN2O4/c17-12-6-10(3-4-13(12)18)19-16(21)9-22-8-11-7-15(24-20-11)14-2-1-5-23-14/h1-7H,8-9H2,(H,19,21)

InChI Key

QMGWOLDABBATTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.304

Water Solubility, LogSw

-3.58

Polar Surface Area

62.159

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E613-1041 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E613-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-1041?
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What is the minimum amount of E613-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-1041
  • 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 E613-1041 available by request