K786-2854 Screening compound: 2-{[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl butanoate

K786-2854 Screening compound: 2-{[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl butanoate
K786-2854 Screening compound: 2-{[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2854
2-{[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl butanoate

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

K786-2854

Molecular Formula

C19H17N5O5S2 (C19 H17 N5 O5 S2)

Compound Name

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

IUPAC name

2-{[7-(13-benzothiazol-2-ylsulfanyl)-4-nitro-213-benzoxadiazol-5-yl]amino}ethyl butanoate

SMILES

CCCC(OCCNc(cc(c1nonc11)Sc2nc(cccc3)c3s2)c1[N+]([O-])=O)=O

InChI

InChI=1S/C19H17N5O5S2/c1-2-5-15(25)28-9-8-20-12-10-14(16-17(23-29-22-16)18(12)24(26)27)31-19-21-11-6-3-4-7-13(11)30-19/h3-4,6-7,10,20H,2,5,8-9H2,1H3

InChI Key

TUUHJBDCMQVPNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.889

Distribution Coefficient, logD

5.889

Water Solubility, LogSw

-5.40

Polar Surface Area

108.791

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with K786-2854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2854?
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What is the minimum amount of K786-2854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2854
  • 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 K786-2854 available by request