K784-6228 Screening compound: 3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol

K784-6228 Screening compound: 3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
K784-6228 Screening compound: 3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6228
3-({7-[(4-chlorophenyl)sulfanyl]-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

K784-6228

Molecular Formula

C15H13ClN4O4S (C15 H13 ClN4 O4 S)

Compound Name

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

IUPAC name

3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-213-benzoxadiazol-5-yl}amino)propan-1-ol

SMILES

[O-][N+](c(c1nonc1c(Sc(cc1)ccc1Cl)c1)c1NCCCO)=O

InChI

InChI=1S/C15H13ClN4O4S/c16-9-2-4-10(5-3-9)25-12-8-11(17-6-1-7-21)15(20(22)23)14-13(12)18-24-19-14/h2-5,8,17,21H,1,6-7H2

InChI Key

XPOHYVXNSPVQGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.098

Distribution Coefficient, logD

4.098

Water Solubility, LogSw

-4.60

Polar Surface Area

95.912

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K784-6228 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 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 K784-6228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6228?
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What is the minimum amount of K784-6228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6228
  • 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 K784-6228 available by request