K261-2986 Screening compound: N~1~-(3,4-diethoxyphenethyl)-2-[2-(3-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

K261-2986 Screening compound: N~1~-(3,4-diethoxyphenethyl)-2-[2-(3-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide
K261-2986 Screening compound: N~1~-(3,4-diethoxyphenethyl)-2-[2-(3-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2986
N~1~-(3,4-diethoxyphenethyl)-2-[2-(3-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

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

K261-2986

Molecular Formula

C28H31N3O6S (C28 H31 N3 O6 S)

Compound Name

N~1~-(3,4-diethoxyphenethyl)-2-[2-(3-methylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-[2-(3-methylphenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]acetamide

SMILES

CCOc(ccc(CCNC(CN(c(cccc1)c1S(N1c2cc(C)ccc2)(=O)=O)C1=O)=O)c1)c1OCC

InChI

InChI=1S/C28H31N3O6S/c1-4-36-24-14-13-21(18-25(24)37-5-2)15-16-29-27(32)19-30-23-11-6-7-12-26(23)38(34,35)31(28(30)33)22-10-8-9-20(3)17-22/h6-14,17-18H,4-5,15-16,19H2,1-3H3,(H,29,32)

InChI Key

RPIZMHZFFLTNCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.81

Polar Surface Area

85.476

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K261-2986 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 K261-2986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2986?
Check Price and Availability of K261-2986, 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 K261-2986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2986
  • 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 K261-2986 available by request