K261-1516 Screening compound: 3-{[3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanoyl]amino}benzoic acid

K261-1516 Screening compound: 3-{[3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanoyl]amino}benzoic acid
K261-1516 Screening compound: 3-{[3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanoyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1516
3-{[3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanoyl]amino}benzoic 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

K261-1516

Molecular Formula

C17H15N3O5S (C17 H15 N3 O5 S)

Compound Name

3-{[3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanoyl]amino}benzoic acid

IUPAC name

3-[3-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)propanamido]benzoic acid

SMILES

OC(c1cccc(NC(CCC(N2)=Nc(cccc3)c3S2(=O)=O)=O)c1)=O

InChI

InChI=1S/C17H15N3O5S/c21-16(18-12-5-3-4-11(10-12)17(22)23)9-8-15-19-13-6-1-2-7-14(13)26(24,25)20-15/h1-7,10H,8-9H2,(H,18,21)(H,19,20)(H,22,23)

InChI Key

MWZOKIQQBZRENK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.468

Distribution Coefficient, logD

-1.418

Water Solubility, LogSw

-2.39

Polar Surface Area

102.182

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

K261-1516 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K261-1516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1516?
Check Price and Availability of K261-1516, 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 K261-1516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1516
  • 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 K261-1516 available by request