F163-0055 Screening compound: N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide

F163-0055 Screening compound: N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide
F163-0055 Screening compound: N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F163-0055
N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide

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

F163-0055

Molecular Formula

C15H17N5OS (C15 H17 N5 OS)

Compound Name

N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide

IUPAC name

N-{5-[(1H-13-benzodiazol-2-yl)methyl]-134-thiadiazol-2-yl}-3-methylbutanamide

SMILES

CC(C)CC(Nc1nnc(Cc2nc(cccc3)c3[nH]2)s1)=O

InChI

InChI=1S/C15H17N5OS/c1-9(2)7-13(21)18-15-20-19-14(22-15)8-12-16-10-5-3-4-6-11(10)17-12/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H,18,20,21)

InChI Key

XZKPMZBHHSNENP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27106362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.318

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-3.68

Polar Surface Area

67.438

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F163-0055 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F163-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F163-0055?
Check Price and Availability of F163-0055, 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 F163-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F163-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F163-0055
  • 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 F163-0055 available by request