8017-4129 Screening compound: 2-(1,3-benzothiazol-2-yl)nicotinic acid

8017-4129 Screening compound: 2-(1,3-benzothiazol-2-yl)nicotinic acid
8017-4129 Screening compound: 2-(1,3-benzothiazol-2-yl)nicotinic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4129
2-(1,3-benzothiazol-2-yl)nicotinic acid

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

8017-4129

Molecular Formula

C13H8N2O2S (C13 H8 N2 O2 S)

Compound Name

2-(1,3-benzothiazol-2-yl)nicotinic acid

IUPAC name

2-(13-benzothiazol-2-yl)pyridine-3-carboxylic acid

SMILES

OC(c1cccnc1-c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C13H8N2O2S/c16-13(17)8-4-3-7-14-11(8)12-15-9-5-1-2-6-10(9)18-12/h1-7H,(H,16,17)

InChI Key

VSVBCUFEFFICAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02670938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

-1.980

Water Solubility, LogSw

-3.23

Polar Surface Area

47.914

Acid Dissociation Constant (pKa)

2.67

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-4129 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-4129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4129?
Check Price and Availability of 8017-4129, 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 8017-4129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4129
  • 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 8017-4129 available by request