8018-7027 Screening compound: N-{2-[(3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)formamido]ethyl}pyrazine-2-carboxamide

8018-7027 Screening compound: N-{2-[(3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)formamido]ethyl}pyrazine-2-carboxamide
8018-7027 Screening compound: N-{2-[(3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)formamido]ethyl}pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7027
N-{2-[(3-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)formamido]ethyl}pyrazine-2-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

8018-7027

Molecular Formula

C19H15F3N8O3 (C19 H15 F3 N8 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nc(Cn2c(cccc3)c3nc2C(F)(F)F)no1)NCCNC(c1nccnc1)=O

InChI

InChI=1S/C19H15F3N8O3/c20-19(21,22)18-27-11-3-1-2-4-13(11)30(18)10-14-28-17(33-29-14)16(32)26-8-7-25-15(31)12-9-23-5-6-24-12/h1-6,9H,7-8,10H2,(H,25,31)(H,26,32)

InChI Key

VIBDSQDLOXUWQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08094254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.765

Distribution Coefficient, logD

0.765

Water Solubility, LogSw

-1.38

Polar Surface Area

110.453

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8018-7027 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-7027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7027?
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What is the minimum amount of 8018-7027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7027
  • 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 8018-7027 available by request