F550-2813 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3-(2,3-dihydro-1H-indole-1-carbonyl)-6-oxo-1,6-dihydropyridazin-1-yl]propanamide

F550-2813 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3-(2,3-dihydro-1H-indole-1-carbonyl)-6-oxo-1,6-dihydropyridazin-1-yl]propanamide
F550-2813 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3-(2,3-dihydro-1H-indole-1-carbonyl)-6-oxo-1,6-dihydropyridazin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F550-2813
N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3-(2,3-dihydro-1H-indole-1-carbonyl)-6-oxo-1,6-dihydropyridazin-1-yl]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

F550-2813

Molecular Formula

C23H18ClN5O3S (C23 H18 ClN5 O3 S)

Compound Name

N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3-(2,3-dihydro-1H-indole-1-carbonyl)-6-oxo-1,6-dihydropyridazin-1-yl]propanamide

IUPAC name

N-(6-chloro-13-benzothiazol-2-yl)-3-[3-(23-dihydro-1H-indole-1-carbonyl)-6-oxo-16-dihydropyridazin-1-yl]propanamide

SMILES

O=C(CCN(C(C=C1)=O)N=C1C(N(CC1)c2c1cccc2)=O)Nc1nc(ccc(Cl)c2)c2s1

InChI

InChI=1S/C23H18ClN5O3S/c24-15-5-6-16-19(13-15)33-23(25-16)26-20(30)10-12-29-21(31)8-7-17(27-29)22(32)28-11-9-14-3-1-2-4-18(14)28/h1-8,13H,9-12H2,(H,25,26,30)

InChI Key

ZPNIBRNGCKJNFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27175851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-4.44

Polar Surface Area

77.387

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F550-2813 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F550-2813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F550-2813?
Check Price and Availability of F550-2813, 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 F550-2813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F550-2813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F550-2813
  • 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 F550-2813 available by request