K786-3469 Screening compound: 2-({4-nitro-7-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate

K786-3469 Screening compound: 2-({4-nitro-7-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
K786-3469 Screening compound: 2-({4-nitro-7-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3469
2-({4-nitro-7-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]-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

K786-3469

Molecular Formula

C19H16N6O5S2 (C19 H16 N6 O5 S2)

Compound Name

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

IUPAC name

2-({4-nitro-7-[(5-phenyl-134-thiadiazol-2-yl)sulfanyl]-213-benzoxadiazol-5-yl}amino)ethyl propanoate

SMILES

CCC(OCCNc(cc(c1nonc11)Sc2nnc(-c3ccccc3)s2)c1[N+]([O-])=O)=O

InChI

InChI=1S/C19H16N6O5S2/c1-2-14(26)29-9-8-20-12-10-13(15-16(24-30-23-15)17(12)25(27)28)31-19-22-21-18(32-19)11-6-4-3-5-7-11/h3-7,10,20H,2,8-9H2,1H3

InChI Key

QIUPKIGVOWLWCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.198

Distribution Coefficient, logD

5.198

Water Solubility, LogSw

-4.98

Polar Surface Area

122.303

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

K786-3469 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-3469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3469?
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What is the minimum amount of K786-3469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3469
  • 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 K786-3469 available by request