F076-0557 Screening compound: N-(2-{4-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}phenyl)-2-bromobenzamide

F076-0557 Screening compound: N-(2-{4-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}phenyl)-2-bromobenzamide
F076-0557 Screening compound: N-(2-{4-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}phenyl)-2-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F076-0557
N-(2-{4-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}phenyl)-2-bromobenzamide

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

F076-0557

Molecular Formula

C26H24BrN3O3 (C26 H24 BrN3 O3)

Compound Name

N-(2-{4-acetyl-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}phenyl)-2-bromobenzamide

IUPAC name

N-(2-{4-acetyl-5-[4-(propan-2-yl)phenyl]-45-dihydro-134-oxadiazol-2-yl}phenyl)-2-bromobenzamide

SMILES

CC(C)c1ccc(C2OC(c(cccc3)c3NC(c(cccc3)c3Br)=O)=NN2C(C)=O)cc1

InChI

InChI=1S/C26H24BrN3O3/c1-16(2)18-12-14-19(15-13-18)26-30(17(3)31)29-25(33-26)21-9-5-7-11-23(21)28-24(32)20-8-4-6-10-22(20)27/h4-16,26H,1-3H3,(H,28,32)/t26-/m1/s1

InChI Key

QROPAFVCYANWRC-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27099519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.4

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

5.748

Distribution Coefficient, logD

5.653

Water Solubility, LogSw

-5.53

Polar Surface Area

57.645

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

F076-0557 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F076-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F076-0557?
Check Price and Availability of F076-0557, 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 F076-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F076-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F076-0557
  • 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 F076-0557 available by request