E613-0772 Screening compound: N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-0772 Screening compound: N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-0772 Screening compound: N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0772
N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-{[5-(thiophen-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

E613-0772

Molecular Formula

C23H24N4O3S (C23 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(Cc1ccc(C)cc1)nc1C)c1NC(COCc1noc(-c2cccs2)c1)=O

InChI

InChI=1S/C23H24N4O3S/c1-15-6-8-18(9-7-15)12-27-17(3)23(16(2)25-27)24-22(28)14-29-13-19-11-20(30-26-19)21-5-4-10-31-21/h4-11H,12-14H2,1-3H3,(H,24,28)

InChI Key

OATFXODQCUDPSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

3.387

Water Solubility, LogSw

-3.70

Polar Surface Area

67.486

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E613-0772 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E613-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0772?
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What is the minimum amount of E613-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0772
  • 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 E613-0772 available by request