K869-0359 Screening compound: N-(2-methoxy-5-nitrophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

K869-0359 Screening compound: N-(2-methoxy-5-nitrophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
K869-0359 Screening compound: N-(2-methoxy-5-nitrophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K869-0359
N-(2-methoxy-5-nitrophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

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

K869-0359

Molecular Formula

C17H15N3O5S (C17 H15 N3 O5 S)

Compound Name

N-(2-methoxy-5-nitrophenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

IUPAC name

N-(2-methoxy-5-nitrophenyl)-3-(2-sulfanylidene-23-dihydro-13-benzoxazol-3-yl)propanamide

SMILES

COc(ccc([N+]([O-])=O)c1)c1NC(CCN(c(cccc1)c1O1)C1=S)=O

InChI

InChI=1S/C17H15N3O5S/c1-24-14-7-6-11(20(22)23)10-12(14)18-16(21)8-9-19-13-4-2-3-5-15(13)25-17(19)26/h2-7,10H,8-9H2,1H3,(H,18,21)

InChI Key

UFHLEAAORSDIHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03020090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.893

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.65

Polar Surface Area

73.317

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with K869-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K869-0359?
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What is the minimum amount of K869-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K869-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K869-0359
  • 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 K869-0359 available by request