2280-6954 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

2280-6954 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
2280-6954 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2280-6954
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

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

2280-6954

Molecular Formula

C16H12BrN3O2S (C16 H12 BrN3 O2 S)

Compound Name

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

IUPAC name

N-[5-(4-bromophenyl)-134-thiadiazol-2-yl]-2-methoxybenzamide

SMILES

COc(cccc1)c1C(Nc1nnc(-c(cc2)ccc2Br)s1)=O

InChI

InChI=1S/C16H12BrN3O2S/c1-22-13-5-3-2-4-12(13)14(21)18-16-20-19-15(23-16)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,20,21)

InChI Key

NLVDDHIKCYHMMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.26

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

4.490

Distribution Coefficient, logD

4.398

Water Solubility, LogSw

-4.48

Polar Surface Area

54.233

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

2280-6954 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2280-6954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2280-6954?
Check Price and Availability of 2280-6954, 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 2280-6954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2280-6954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2280-6954
  • 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 2280-6954 available by request