8018-7030 Screening compound: N-{2-[(3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)formamido]ethyl}pyridine-3-carboxamide

8018-7030 Screening compound: N-{2-[(3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)formamido]ethyl}pyridine-3-carboxamide
8018-7030 Screening compound: N-{2-[(3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)formamido]ethyl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7030
N-{2-[(3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)formamido]ethyl}pyridine-3-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

8018-7030

Molecular Formula

C20H16F3N7O3 (C20 H16 F3 N7 O3)

Compound Name

N-{2-[(3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)formamido]ethyl}pyridine-3-carboxamide

IUPAC name

N-{2-[(3-{[2-(trifluoromethyl)-1H-13-benzodiazol-1-yl]methyl}-124-oxadiazol-5-yl)formamido]ethyl}pyridine-3-carboxamide

SMILES

O=C(c1nc(Cn2c(cccc3)c3nc2C(F)(F)F)no1)NCCNC(c1cnccc1)=O

InChI

InChI=1S/C20H16F3N7O3/c21-20(22,23)19-27-13-5-1-2-6-14(13)30(19)11-15-28-18(33-29-15)17(32)26-9-8-25-16(31)12-4-3-7-24-10-12/h1-7,10H,8-9,11H2,(H,25,31)(H,26,32)

InChI Key

JOVZIQFJDPUHFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08094288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.213

Distribution Coefficient, logD

1.213

Water Solubility, LogSw

-1.45

Polar Surface Area

101.406

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8018-7030 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8018-7030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7030?
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What is the minimum amount of 8018-7030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7030
  • 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 8018-7030 available by request