E613-1106 Screening compound: N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-1106 Screening compound: N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-1106 Screening compound: N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-1106
N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-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

E613-1106

Molecular Formula

C22H21ClN4O4 (C22 H21 ClN4 O4)

Compound Name

N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

IUPAC name

N-{1-[(2-chlorophenyl)methyl]-35-dimethyl-1H-pyrazol-4-yl}-2-{[5-(furan-2-yl)-12-oxazol-3-yl]methoxy}acetamide

SMILES

Cc(n(Cc(cccc1)c1Cl)nc1C)c1NC(COCc1noc(-c2ccco2)c1)=O

InChI

InChI=1S/C22H21ClN4O4/c1-14-22(15(2)27(25-14)11-16-6-3-4-7-18(16)23)24-21(28)13-29-12-17-10-20(31-26-17)19-8-5-9-30-19/h3-10H,11-13H2,1-2H3,(H,24,28)

InChI Key

ZLHIFLRXQPKAKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.31

Polar Surface Area

75.046

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with E613-1106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-1106?
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What is the minimum amount of E613-1106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-1106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-1106
  • 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 E613-1106 available by request