2041-2460 Screening compound: 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxy-2H-chromen-2-one

2041-2460 Screening compound: 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxy-2H-chromen-2-one
2041-2460 Screening compound: 3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2041-2460
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxy-2H-chromen-2-one

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

2041-2460

Molecular Formula

C18H11BrN2O4 (C18 H11 BrN2 O4)

Compound Name

3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxy-2H-chromen-2-one

IUPAC name

3-[5-(3-bromophenyl)-134-oxadiazol-2-yl]-8-methoxy-2H-chromen-2-one

SMILES

COc1cccc(C=C2c3nnc(-c4cccc(Br)c4)o3)c1OC2=O

InChI

InChI=1S/C18H11BrN2O4/c1-23-14-7-3-4-10-9-13(18(22)24-15(10)14)17-21-20-16(25-17)11-5-2-6-12(19)8-11/h2-9H,1H3

InChI Key

BYGZUKNPJZVXCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.751

Distribution Coefficient, logD

3.751

Water Solubility, LogSw

-4.22

Polar Surface Area

58.719

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-9.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

2041-2460 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 2041-2460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2041-2460?
Check Price and Availability of 2041-2460, 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 2041-2460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2041-2460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2041-2460
  • 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 2041-2460 available by request