K781-2206 Screening compound: 8-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}-1,4-dioxa-8-azaspiro[4.5]decane

K781-2206 Screening compound: 8-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}-1,4-dioxa-8-azaspiro[4.5]decane
K781-2206 Screening compound: 8-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2206
8-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

K781-2206

Molecular Formula

C20H19ClN2O5S (C20 H19 ClN2 O5 S)

Compound Name

8-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{4-[(3-chlorophenyl)sulfanyl]-3-nitrobenzoyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

[O-][N+](c(cc(cc1)C(N(CC2)CCC22OCCO2)=O)c1Sc1cccc(Cl)c1)=O

InChI

InChI=1S/C20H19ClN2O5S/c21-15-2-1-3-16(13-15)29-18-5-4-14(12-17(18)23(25)26)19(24)22-8-6-20(7-9-22)27-10-11-28-20/h1-5,12-13H,6-11H2

InChI Key

LISWWSHVMKJBFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.857

Distribution Coefficient, logD

3.857

Water Solubility, LogSw

-4.36

Polar Surface Area

64.133

Acid Dissociation Constant (pKa)

27.30

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K781-2206 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 K781-2206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2206?
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What is the minimum amount of K781-2206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2206
  • 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 K781-2206 available by request