3086-0021 Screening compound: 3-bromo-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

3086-0021 Screening compound: 3-bromo-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
3086-0021 Screening compound: 3-bromo-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3086-0021
3-bromo-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

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

3086-0021

Molecular Formula

C16H12BrN3O2S (C16 H12 BrN3 O2 S)

Compound Name

3-bromo-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

3-bromo-N-[5-(phenoxymethyl)-134-thiadiazol-2-yl]benzamide

SMILES

O=C(c1cccc(Br)c1)Nc1nnc(COc2ccccc2)s1

InChI

InChI=1S/C16H12BrN3O2S/c17-12-6-4-5-11(9-12)15(21)18-16-20-19-14(23-16)10-22-13-7-2-1-3-8-13/h1-9H,10H2,(H,18,20,21)

InChI Key

CXWLFBQOKAAQRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837190

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

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

2.524

Water Solubility, LogSw

-4.39

Polar Surface Area

54.597

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3086-0021 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3086-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3086-0021?
Check Price and Availability of 3086-0021, 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 3086-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3086-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3086-0021
  • 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 3086-0021 available by request