K666-0111 Screening compound: 4-({4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

K666-0111 Screening compound: 4-({4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,1,3-benzoxadiazole
K666-0111 Screening compound: 4-({4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K666-0111
4-({4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

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

K666-0111

Molecular Formula

C17H14F3N5O5S (C17 H14 F3 N5 O5 S)

Compound Name

4-({4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

IUPAC name

4-({4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-213-benzoxadiazole

SMILES

[O-][N+](c(cc1)cc(C(F)(F)F)c1N(CC1)CCN1S(c1cccc2nonc12)(=O)=O)=O

InChI

InChI=1S/C17H14F3N5O5S/c18-17(19,20)12-10-11(25(26)27)4-5-14(12)23-6-8-24(9-7-23)31(28,29)15-3-1-2-13-16(15)22-30-21-13/h1-5,10H,6-9H2

InChI Key

FEAMLTDGHFLPLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.875

Distribution Coefficient, logD

3.875

Water Solubility, LogSw

-4.19

Polar Surface Area

104.380

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

K666-0111 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K666-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K666-0111?
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What is the minimum amount of K666-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K666-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K666-0111
  • 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 K666-0111 available by request