K786-1537 Screening compound: 2-{[7-(cyclohexylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl acetate

K786-1537 Screening compound: 2-{[7-(cyclohexylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl acetate
K786-1537 Screening compound: 2-{[7-(cyclohexylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1537
2-{[7-(cyclohexylsulfanyl)-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

K786-1537

Molecular Formula

C16H20N4O5S (C16 H20 N4 O5 S)

Compound Name

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

IUPAC name

2-{[7-(cyclohexylsulfanyl)-4-nitro-213-benzoxadiazol-5-yl]amino}ethyl acetate

SMILES

CC(OCCNc(cc(c1nonc11)SC2CCCCC2)c1[N+]([O-])=O)=O

InChI

InChI=1S/C16H20N4O5S/c1-10(21)24-8-7-17-12-9-13(26-11-5-3-2-4-6-11)14-15(19-25-18-14)16(12)20(22)23/h9,11,17H,2-8H2,1H3

InChI Key

MHIFEIAKFRNTEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.730

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.43

Polar Surface Area

100.598

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with K786-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1537?
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What is the minimum amount of K786-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1537
  • 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 K786-1537 available by request