Y040-3162 Screening compound: N~3~-(2,1,3-benzoxadiazol-4-yl)-5-bromonicotinamide

Y040-3162 Screening compound: N~3~-(2,1,3-benzoxadiazol-4-yl)-5-bromonicotinamide
Y040-3162 Screening compound: N~3~-(2,1,3-benzoxadiazol-4-yl)-5-bromonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3162
N~3~-(2,1,3-benzoxadiazol-4-yl)-5-bromonicotinamide

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

Y040-3162

Molecular Formula

C12H7BrN4O2 (C12 H7 BrN4 O2)

Compound Name

N~3~-(2,1,3-benzoxadiazol-4-yl)-5-bromonicotinamide

IUPAC name

N-(213-benzoxadiazol-4-yl)-5-bromopyridine-3-carboxamide

SMILES

O=C(c1cc(Br)cnc1)Nc1cccc2nonc12

InChI

InChI=1S/C12H7BrN4O2/c13-8-4-7(5-14-6-8)12(18)15-9-2-1-3-10-11(9)17-19-16-10/h1-6H,(H,15,18)

InChI Key

OXUGDZBYOAZATH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09791346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.12

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.189

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.24

Polar Surface Area

68.329

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y040-3162 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-3162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3162?
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What is the minimum amount of Y040-3162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3162
  • 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 Y040-3162 available by request