D370-0047 Screening compound: N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide

D370-0047 Screening compound: N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide
D370-0047 Screening compound: N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D370-0047
N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide

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

D370-0047

Molecular Formula

C13H14BrN3O2 (C13 H14 BrN3 O2)

Compound Name

N-[4-(4-bromophenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide

IUPAC name

N-[4-(4-bromophenyl)-125-oxadiazol-3-yl]-3-methylbutanamide

SMILES

CC(C)CC(Nc1nonc1-c(cc1)ccc1Br)=O

InChI

InChI=1S/C13H14BrN3O2/c1-8(2)7-11(18)15-13-12(16-19-17-13)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,17,18)

InChI Key

GVGSEIZUHBGMKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08547164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

4.229

Water Solubility, LogSw

-4.22

Polar Surface Area

60.144

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D370-0047 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D370-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D370-0047?
Check Price and Availability of D370-0047, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D370-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D370-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D370-0047
  • 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 D370-0047 available by request