G418-1077 Screening compound: 4-tert-butyl-N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

G418-1077 Screening compound: 4-tert-butyl-N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
G418-1077 Screening compound: 4-tert-butyl-N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G418-1077
4-tert-butyl-N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

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

G418-1077

Molecular Formula

C26H24FN3O2 (C26 H24 FN3 O2)

Compound Name

4-tert-butyl-N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

IUPAC name

4-tert-butyl-N-[(4-fluorophenyl)(5-phenyl-134-oxadiazol-2-yl)methyl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NC(c1nnc(-c2ccccc2)o1)c(cc1)ccc1F)=O

InChI

InChI=1S/C26H24FN3O2/c1-26(2,3)20-13-9-18(10-14-20)23(31)28-22(17-11-15-21(27)16-12-17)25-30-29-24(32-25)19-7-5-4-6-8-19/h4-16,22H,1-3H3,(H,28,31)/t22-/m1/s1

InChI Key

ROLLFGBPPTVQLA-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15011769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.815

Distribution Coefficient, logD

5.807

Water Solubility, LogSw

-5.78

Polar Surface Area

54.248

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

-5.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

G418-1077 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G418-1077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G418-1077?
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What is the minimum amount of G418-1077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G418-1077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G418-1077
  • 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 G418-1077 available by request