5867-3896 Screening compound: N~1~-[3-(1,3-benzothiazol-2-yl)phenyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

5867-3896 Screening compound: N~1~-[3-(1,3-benzothiazol-2-yl)phenyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
5867-3896 Screening compound: N~1~-[3-(1,3-benzothiazol-2-yl)phenyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-3896
N~1~-[3-(1,3-benzothiazol-2-yl)phenyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

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

5867-3896

Molecular Formula

C22H17N5OS2 (C22 H17 N5 OS2)

Compound Name

N~1~-[3-(1,3-benzothiazol-2-yl)phenyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

IUPAC name

n/a

SMILES

O=C(CCSc1nnc2n1cccc2)Nc1cccc(-c2nc(cccc3)c3s2)c1

InChI

InChI=1S/C22H17N5OS2/c28-20(11-13-29-22-26-25-19-10-3-4-12-27(19)22)23-16-7-5-6-15(14-16)21-24-17-8-1-2-9-18(17)30-21/h1-10,12,14H,11,13H2,(H,23,28)

InChI Key

XBHHFNNXDNJRFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03993931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.362

Distribution Coefficient, logD

4.362

Water Solubility, LogSw

-4.44

Polar Surface Area

54.757

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 5867-3896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-3896?
Check Price and Availability of 5867-3896, 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 5867-3896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-3896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-3896
  • 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 5867-3896 available by request