K784-6214 Screening compound: 3-{[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol

K784-6214 Screening compound: 3-{[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
K784-6214 Screening compound: 3-{[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6214
3-{[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-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

K784-6214

Molecular Formula

C16H13N5O4S2 (C16 H13 N5 O4 S2)

Compound Name

3-{[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol

IUPAC name

3-{[7-(13-benzothiazol-2-ylsulfanyl)-4-nitro-213-benzoxadiazol-5-yl]amino}propan-1-ol

SMILES

[O-][N+](c(c1nonc1c(Sc1nc(cccc2)c2s1)c1)c1NCCCO)=O

InChI

InChI=1S/C16H13N5O4S2/c22-7-3-6-17-10-8-12(13-14(20-25-19-13)15(10)21(23)24)27-16-18-9-4-1-2-5-11(9)26-16/h1-2,4-5,8,17,22H,3,6-7H2

InChI Key

BDNBQEJUOYJFPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.176

Distribution Coefficient, logD

4.176

Water Solubility, LogSw

-4.46

Polar Surface Area

104.994

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

K784-6214 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-6214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6214?
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What is the minimum amount of K784-6214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6214
  • 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 K784-6214 available by request