K784-6227 Screening compound: 3-{[7-(1,3-benzoxazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol

K784-6227 Screening compound: 3-{[7-(1,3-benzoxazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
K784-6227 Screening compound: 3-{[7-(1,3-benzoxazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6227
3-{[7-(1,3-benzoxazol-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

K784-6227

Molecular Formula

C16H13N5O5S (C16 H13 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(c1nonc1c(Sc1nc(cccc2)c2o1)c1)c1NCCCO)=O

InChI

InChI=1S/C16H13N5O5S/c22-7-3-6-17-10-8-12(13-14(20-26-19-13)15(10)21(23)24)27-16-18-9-4-1-2-5-11(9)25-16/h1-2,4-5,8,17,22H,3,6-7H2

InChI Key

SZDCGRARUFASDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.641

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-4.11

Polar Surface Area

112.576

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

K784-6227 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-6227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6227?
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What is the minimum amount of K784-6227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6227
  • 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 K784-6227 available by request