K261-2974 Screening compound: 4-benzyl-3-({2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

K261-2974 Screening compound: 4-benzyl-3-({2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
K261-2974 Screening compound: 4-benzyl-3-({2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2974
4-benzyl-3-({2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

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

K261-2974

Molecular Formula

C26H25FN4O3S2 (C26 H25 FN4 O3 S2)

Compound Name

4-benzyl-3-({2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

IUPAC name

4-benzyl-3-({2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4H-1lambda624-benzothiadiazine-11-dione

SMILES

O=C(CSC(N(Cc1ccccc1)c1c2cccc1)=NS2(=O)=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C26H25FN4O3S2/c27-21-10-4-5-11-22(21)29-14-16-30(17-15-29)25(32)19-35-26-28-36(33,34)24-13-7-6-12-23(24)31(26)18-20-8-2-1-3-9-20/h1-13H,14-19H2

InChI Key

LHMZFTDJUJKODS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

4.289

Water Solubility, LogSw

-4.25

Polar Surface Area

63.065

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with K261-2974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2974?
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What is the minimum amount of K261-2974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2974
  • 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 K261-2974 available by request