4953-1055 Screening compound: 5-[(4-bromo-2-chlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

4953-1055 Screening compound: 5-[(4-bromo-2-chlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
4953-1055 Screening compound: 5-[(4-bromo-2-chlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4953-1055
5-[(4-bromo-2-chlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

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

4953-1055

Molecular Formula

C17H14BrClN2O4 (C17 H14 BrClN2 O4)

Compound Name

5-[(4-bromo-2-chlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

IUPAC name

5-[(4-bromo-2-chlorophenoxy)methyl]-3-(34-dimethoxyphenyl)-124-oxadiazole

SMILES

COc(ccc(-c1noc(COc(ccc(Br)c2)c2Cl)n1)c1)c1OC

InChI

InChI=1S/C17H14BrClN2O4/c1-22-14-5-3-10(7-15(14)23-2)17-20-16(25-21-17)9-24-13-6-4-11(18)8-12(13)19/h3-8H,9H2,1-2H3

InChI Key

NKBRXGOHPBNGHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03138897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.797

Distribution Coefficient, logD

4.797

Water Solubility, LogSw

-4.97

Polar Surface Area

54.156

Acid Dissociation Constant (pKa)

31.04

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4953-1055 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4953-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4953-1055?
Check Price and Availability of 4953-1055, 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 4953-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4953-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4953-1055
  • 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 4953-1055 available by request