8018-9895 Screening compound: 3-(4-methoxyphenyl)-N-{1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}-1,2-oxazole-5-carboxamide

8018-9895 Screening compound: 3-(4-methoxyphenyl)-N-{1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}-1,2-oxazole-5-carboxamide
8018-9895 Screening compound: 3-(4-methoxyphenyl)-N-{1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9895
3-(4-methoxyphenyl)-N-{1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}-1,2-oxazole-5-carboxamide

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

8018-9895

Molecular Formula

C24H28N4O3 (C24 H28 N4 O3)

Compound Name

3-(4-methoxyphenyl)-N-{1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}-1,2-oxazole-5-carboxamide

IUPAC name

3-(4-methoxyphenyl)-N-{1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}-12-oxazole-5-carboxamide

SMILES

CC(c(cc1)ccc1N1CCN(C)CC1)NC(c1cc(-c(cc2)ccc2OC)no1)=O

InChI

InChI=1S/C24H28N4O3/c1-17(18-4-8-20(9-5-18)28-14-12-27(2)13-15-28)25-24(29)23-16-22(26-31-23)19-6-10-21(30-3)11-7-19/h4-11,16-17H,12-15H2,1-3H3,(H,25,29)/t17-/m0/s1

InChI Key

JIDSIXVZLZNGJO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD09063514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.81

Polar Surface Area

59.823

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8018-9895 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Akt-Targeted Library (14764 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-9895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9895?
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What is the minimum amount of 8018-9895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9895
  • 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 8018-9895 available by request