K786-2883 Screening compound: 3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate

K786-2883 Screening compound: 3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
K786-2883 Screening compound: 3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2883
3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate

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

K786-2883

Molecular Formula

C17H15ClN4O5S (C17 H15 ClN4 O5 S)

Compound Name

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

IUPAC name

3-({7-[(4-chlorophenyl)sulfanyl]-4-nitro-213-benzoxadiazol-5-yl}amino)propyl acetate

SMILES

CC(OCCCNc(cc(c1nonc11)Sc(cc2)ccc2Cl)c1[N+]([O-])=O)=O

InChI

InChI=1S/C17H15ClN4O5S/c1-10(23)26-8-2-7-19-13-9-14(28-12-5-3-11(18)4-6-12)15-16(21-27-20-15)17(13)22(24)25/h3-6,9,19H,2,7-8H2,1H3

InChI Key

IGDPIHXBNIIOQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.85

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.030

Distribution Coefficient, logD

5.030

Water Solubility, LogSw

-5.16

Polar Surface Area

100.406

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

K786-2883 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 K786-2883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2883?
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What is the minimum amount of K786-2883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2883
  • 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 K786-2883 available by request