K608-0027 Screening compound: N~1~-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)-1-adamantanecarboxamide

K608-0027 Screening compound: N~1~-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)-1-adamantanecarboxamide
K608-0027 Screening compound: N~1~-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K608-0027
N~1~-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)-1-adamantanecarboxamide

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

K608-0027

Molecular Formula

C17H20N2O5S2 (C17 H20 N2 O5 S2)

Compound Name

N~1~-(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)-1-adamantanecarboxamide

IUPAC name

N-(1133-tetraoxo-2H-1lambda63lambda62-benzodithiazol-2-yl)adamantane-1-carboxamide

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)NN(S(c1c2cccc1)(=O)=O)S2(=O)=O

InChI

InChI=1S/C17H20N2O5S2/c20-16(17-8-11-5-12(9-17)7-13(6-11)10-17)18-19-25(21,22)14-3-1-2-4-15(14)26(19,23)24/h1-4,11-13H,5-10H2,(H,18,20)

InChI Key

UODCCASZZYWVMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.730

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-3.32

Polar Surface Area

88.086

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-12.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

K608-0027 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 K608-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K608-0027?
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What is the minimum amount of K608-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K608-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K608-0027
  • 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 K608-0027 available by request