C301-8122 Screening compound: 3-bromo-4-methoxy-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C301-8122 Screening compound: 3-bromo-4-methoxy-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
C301-8122 Screening compound: 3-bromo-4-methoxy-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8122
3-bromo-4-methoxy-N-[phenyl(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

C301-8122

Molecular Formula

C23H18BrN3O3 (C23 H18 BrN3 O3)

Compound Name

3-bromo-4-methoxy-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

IUPAC name

3-bromo-4-methoxy-N-[phenyl(5-phenyl-134-oxadiazol-2-yl)methyl]benzamide

SMILES

COc(ccc(C(NC(c1nnc(-c2ccccc2)o1)c1ccccc1)=O)c1)c1Br

InChI

InChI=1S/C23H18BrN3O3/c1-29-19-13-12-17(14-18(19)24)21(28)25-20(15-8-4-2-5-9-15)23-27-26-22(30-23)16-10-6-3-7-11-16/h2-14,20H,1H3,(H,25,28)/t20-/m1/s1

InChI Key

DAVPBNFQAHIISW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14745252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.624

Water Solubility, LogSw

-4.54

Polar Surface Area

61.878

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-5.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

C301-8122 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-8122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8122?
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What is the minimum amount of C301-8122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8122
  • 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 C301-8122 available by request