Y031-8864 Screening compound: N-(1,3-benzothiazol-2-yl)nicotinamide

Y031-8864 Screening compound: N-(1,3-benzothiazol-2-yl)nicotinamide
Y031-8864 Screening compound: N-(1,3-benzothiazol-2-yl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8864
N-(1,3-benzothiazol-2-yl)nicotinamide

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

Y031-8864

Molecular Formula

C13H9N3OS (C13 H9 N3 OS)

Compound Name

N-(1,3-benzothiazol-2-yl)nicotinamide

IUPAC name

N-(13-benzothiazol-2-yl)pyridine-3-carboxamide

SMILES

O=C(c1cnccc1)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C13H9N3OS/c17-12(9-4-3-7-14-8-9)16-13-15-10-5-1-2-6-11(10)18-13/h1-8H,(H,15,16,17)

InChI Key

UWUNYOLFEWOXPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00441245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-3.13

Polar Surface Area

42.609

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with Y031-8864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8864?
Check Price and Availability of Y031-8864, 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 Y031-8864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8864
  • 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 Y031-8864 available by request