8015-5695 Screening compound: 1-[3-(5-bromo-2-furyl)-1,2,4-oxadiazol-5-yl]ethyl (4-chloro-2-methylphenyl) ether

8015-5695 Screening compound: 1-[3-(5-bromo-2-furyl)-1,2,4-oxadiazol-5-yl]ethyl (4-chloro-2-methylphenyl) ether
8015-5695 Screening compound: 1-[3-(5-bromo-2-furyl)-1,2,4-oxadiazol-5-yl]ethyl (4-chloro-2-methylphenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5695
1-[3-(5-bromo-2-furyl)-1,2,4-oxadiazol-5-yl]ethyl (4-chloro-2-methylphenyl) ether

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

8015-5695

Molecular Formula

C15H12BrClN2O3 (C15 H12 BrClN2 O3)

Compound Name

1-[3-(5-bromo-2-furyl)-1,2,4-oxadiazol-5-yl]ethyl (4-chloro-2-methylphenyl) ether

IUPAC name

3-(5-bromofuran-2-yl)-5-[1-(4-chloro-2-methylphenoxy)ethyl]-124-oxadiazole

SMILES

CC(c1nc(-c(o2)ccc2Br)no1)Oc(cc1)c(C)cc1Cl

InChI

InChI=1S/C15H12BrClN2O3/c1-8-7-10(17)3-4-11(8)20-9(2)15-18-14(19-22-15)12-5-6-13(16)21-12/h3-7,9H,1-2H3/t9-/m0/s1

InChI Key

NDXCTZZEEIXNMJ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05256886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.980

Distribution Coefficient, logD

5.980

Water Solubility, LogSw

-6.22

Polar Surface Area

47.446

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-5.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8015-5695 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-5695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5695?
Check Price and Availability of 8015-5695, 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 8015-5695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5695
  • 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 8015-5695 available by request