K261-1464 Screening compound: N~1~-(3,4-diethoxyphenethyl)-2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)acetamide

K261-1464 Screening compound: N~1~-(3,4-diethoxyphenethyl)-2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)acetamide
K261-1464 Screening compound: N~1~-(3,4-diethoxyphenethyl)-2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1464
N~1~-(3,4-diethoxyphenethyl)-2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-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

K261-1464

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

N~1~-(3,4-diethoxyphenethyl)-2-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)acetamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)acetamide

SMILES

CCOc(ccc(CCNC(CC(N1)=Nc(cccc2)c2S1(=O)=O)=O)c1)c1OCC

InChI

InChI=1S/C21H25N3O5S/c1-3-28-17-10-9-15(13-18(17)29-4-2)11-12-22-21(25)14-20-23-16-7-5-6-8-19(16)30(26,27)24-20/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,25)(H,23,24)

InChI Key

BVYIYUYLHUEKBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.653

Distribution Coefficient, logD

0.345

Water Solubility, LogSw

-2.45

Polar Surface Area

89.358

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K261-1464 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K261-1464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1464?
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What is the minimum amount of K261-1464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1464
  • 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 K261-1464 available by request