K786-2863 Screening compound: 2-({7-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate

K786-2863 Screening compound: 2-({7-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
K786-2863 Screening compound: 2-({7-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2863
2-({7-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate

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

K786-2863

Molecular Formula

C15H18N4O7S (C15 H18 N4 O7 S)

Compound Name

2-({7-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate

IUPAC name

2-({7-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-nitro-213-benzoxadiazol-5-yl}amino)ethyl propanoate

SMILES

CCC(OCCNc(cc(c1nonc11)SCC(OCC)=O)c1[N+]([O-])=O)=O

InChI

InChI=1S/C15H18N4O7S/c1-3-11(20)25-6-5-16-9-7-10(27-8-12(21)24-4-2)13-14(18-26-17-13)15(9)19(22)23/h7,16H,3-6,8H2,1-2H3

InChI Key

NOWJMAPOLPOGSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.4

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.48

Polar Surface Area

120.140

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

K786-2863 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 K786-2863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2863?
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What is the minimum amount of K786-2863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2863
  • 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 K786-2863 available by request