K784-6196 Screening compound: 2-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol

K784-6196 Screening compound: 2-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
K784-6196 Screening compound: 2-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6196
2-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol

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

K784-6196

Molecular Formula

C11H10N6O4S2 (C11 H10 N6 O4 S2)

Compound Name

2-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol

IUPAC name

2-({7-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]-4-nitro-213-benzoxadiazol-5-yl}amino)ethan-1-ol

SMILES

Cc1nnc(Sc(c2nonc22)cc(NCCO)c2[N+]([O-])=O)s1

InChI

InChI=1S/C11H10N6O4S2/c1-5-13-14-11(22-5)23-7-4-6(12-2-3-18)10(17(19)20)9-8(7)15-21-16-9/h4,12,18H,2-3H2,1H3

InChI Key

ZHFIGTWQYGBRDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.119

Distribution Coefficient, logD

2.119

Water Solubility, LogSw

-2.32

Polar Surface Area

118.584

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K784-6196 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K784-6196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6196?
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What is the minimum amount of K784-6196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6196
  • 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 K784-6196 available by request