K261-1893 Screening compound: 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methyl-N~1~-(3,4,5-trimethoxyphenyl)butanamide

K261-1893 Screening compound: 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methyl-N~1~-(3,4,5-trimethoxyphenyl)butanamide
K261-1893 Screening compound: 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methyl-N~1~-(3,4,5-trimethoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1893
4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methyl-N~1~-(3,4,5-trimethoxyphenyl)butanamide

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

K261-1893

Molecular Formula

C21H25N3O6S (C21 H25 N3 O6 S)

Compound Name

4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methyl-N~1~-(3,4,5-trimethoxyphenyl)butanamide

IUPAC name

4-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)-3-methyl-N-(345-trimethoxyphenyl)butanamide

SMILES

CC(CC(Nc(cc1OC)cc(OC)c1OC)=O)CC(N1)=Nc(cccc2)c2S1(=O)=O

InChI

InChI=1S/C21H25N3O6S/c1-13(9-19-23-15-7-5-6-8-18(15)31(26,27)24-19)10-20(25)22-14-11-16(28-2)21(30-4)17(12-14)29-3/h5-8,11-13H,9-10H2,1-4H3,(H,22,25)(H,23,24)/t13-/m1/s1

InChI Key

BBPOCYJMSMRWDZ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD15084671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.815

Distribution Coefficient, logD

1.375

Water Solubility, LogSw

-2.72

Polar Surface Area

96.751

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K261-1893 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with K261-1893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1893?
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What is the minimum amount of K261-1893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1893
  • 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 K261-1893 available by request