K786-7315 Screening compound: 4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

K786-7315 Screening compound: 4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
K786-7315 Screening compound: 4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-7315
4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

K786-7315

Molecular Formula

C21H27N3O6S2 (C21 H27 N3 O6 S2)

Compound Name

4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

4-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-6-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(CN1c(cc(cc2)S(N3CCCC3)(=O)=O)c2SCC1=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C21H27N3O6S2/c25-19(22-9-5-21(6-10-22)29-11-12-30-21)14-24-17-13-16(3-4-18(17)31-15-20(24)26)32(27,28)23-7-1-2-8-23/h3-4,13H,1-2,5-12,14-15H2

InChI Key

IMZNJTFTEKGDIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.858

Distribution Coefficient, logD

0.858

Water Solubility, LogSw

-2.32

Polar Surface Area

78.525

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

K786-7315 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-7315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-7315?
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What is the minimum amount of K786-7315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-7315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-7315
  • 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 K786-7315 available by request