8018-5795 Screening compound: N-({4-[(morpholin-4-yl)methyl]phenyl}methyl)-3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide

8018-5795 Screening compound: N-({4-[(morpholin-4-yl)methyl]phenyl}methyl)-3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide
8018-5795 Screening compound: N-({4-[(morpholin-4-yl)methyl]phenyl}methyl)-3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5795
N-({4-[(morpholin-4-yl)methyl]phenyl}methyl)-3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazole-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

8018-5795

Molecular Formula

C24H23F3N6O3 (C24 H23 F3 N6 O3)

Compound Name

N-({4-[(morpholin-4-yl)methyl]phenyl}methyl)-3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-({4-[(morpholin-4-yl)methyl]phenyl}methyl)-3-{[2-(trifluoromethyl)-1H-13-benzodiazol-1-yl]methyl}-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(Cn2c(cccc3)c3nc2C(F)(F)F)no1)NCc1ccc(CN2CCOCC2)cc1

InChI

InChI=1S/C24H23F3N6O3/c25-24(26,27)23-29-18-3-1-2-4-19(18)33(23)15-20-30-22(36-31-20)21(34)28-13-16-5-7-17(8-6-16)14-32-9-11-35-12-10-32/h1-8H,9-15H2,(H,28,34)

InChI Key

JQHVGYSSHWTTPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.847

Distribution Coefficient, logD

2.654

Water Solubility, LogSw

-3.08

Polar Surface Area

79.161

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8018-5795 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-5795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5795?
Check Price and Availability of 8018-5795, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-5795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5795
  • 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 8018-5795 available by request