K786-1539 Screening compound: 2-{[7-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl acetate

K786-1539 Screening compound: 2-{[7-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl acetate
K786-1539 Screening compound: 2-{[7-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1539
2-{[7-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl 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

K786-1539

Molecular Formula

C13H13N5O5S2 (C13 H13 N5 O5 S2)

Compound Name

2-{[7-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl acetate

IUPAC name

2-{[7-(45-dihydro-13-thiazol-2-ylsulfanyl)-4-nitro-213-benzoxadiazol-5-yl]amino}ethyl acetate

SMILES

CC(OCCNc(cc(c1nonc11)SC2=NCCS2)c1[N+]([O-])=O)=O

InChI

InChI=1S/C13H13N5O5S2/c1-7(19)22-4-2-14-8-6-9(25-13-15-3-5-24-13)10-11(17-23-16-10)12(8)18(20)21/h6,14H,2-5H2,1H3

InChI Key

SLTIWZSMQYQRCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.41

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.179

Distribution Coefficient, logD

3.176

Water Solubility, LogSw

-3.50

Polar Surface Area

110.120

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

K786-1539 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K786-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1539?
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What is the minimum amount of K786-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1539
  • 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 K786-1539 available by request