F163-0021 Screening compound: N-{5-[(1,3-benzothiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxybenzamide

F163-0021 Screening compound: N-{5-[(1,3-benzothiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxybenzamide
F163-0021 Screening compound: N-{5-[(1,3-benzothiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F163-0021
N-{5-[(1,3-benzothiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-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

F163-0021

Molecular Formula

C18H14N4O2S2 (C18 H14 N4 O2 S2)

Compound Name

N-{5-[(1,3-benzothiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxybenzamide

IUPAC name

N-{5-[(13-benzothiazol-2-yl)methyl]-134-thiadiazol-2-yl}-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc1nnc(Cc2nc(cccc3)c3s2)s1)=O

InChI

InChI=1S/C18H14N4O2S2/c1-24-12-8-6-11(7-9-12)17(23)20-18-22-21-16(26-18)10-15-19-13-4-2-3-5-14(13)25-15/h2-9H,10H2,1H3,(H,20,22,23)

InChI Key

VTAXUIMCPNVQJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14943874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

4.050

Water Solubility, LogSw

-4.33

Polar Surface Area

64.858

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

F163-0021 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F163-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F163-0021?
Check Price and Availability of F163-0021, 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 F163-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F163-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F163-0021
  • 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 F163-0021 available by request