K608-0018 Screening compound: N~1~-{1-(1-adamantyl)-2-oxo-2-[(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)amino]ethyl}-4-nitrobenzamide

K608-0018 Screening compound: N~1~-{1-(1-adamantyl)-2-oxo-2-[(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)amino]ethyl}-4-nitrobenzamide
K608-0018 Screening compound: N~1~-{1-(1-adamantyl)-2-oxo-2-[(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)amino]ethyl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K608-0018
N~1~-{1-(1-adamantyl)-2-oxo-2-[(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)amino]ethyl}-4-nitrobenzamide

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

K608-0018

Molecular Formula

C25H26N4O8S2 (C25 H26 N4 O8 S2)

Compound Name

N~1~-{1-(1-adamantyl)-2-oxo-2-[(1,1,3,3-tetraoxo-1,3-dihydro-2H-1lambda~6~,3lambda~6~,2-benzodithiazol-2-yl)amino]ethyl}-4-nitrobenzamide

IUPAC name

2-(adamantan-1-yl)-2-[(4-nitrophenyl)formamido]-N-(1133-tetraoxo-2H-1lambda63lambda62-benzodithiazol-2-yl)acetamide

SMILES

[O-][N+](c(cc1)ccc1C(NC(C1(CC(C2)C3)CC3CC2C1)C(NN(S(c1c2cccc1)(=O)=O)S2(=O)=O)=O)=O)=O

InChI

InChI=1S/C25H26N4O8S2/c30-23(18-5-7-19(8-6-18)28(32)33)26-22(25-12-15-9-16(13-25)11-17(10-15)14-25)24(31)27-29-38(34,35)20-3-1-2-4-21(20)39(29,36)37/h1-8,15-17,22H,9-14H2,(H,26,30)(H,27,31)/t15?,16?,17?,22-,25?/m1/s1

InChI Key

REOCBFAPXYNTAB-LXFJAFENSA-N

MDL Number (MFCD)

MFCD02111522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.64

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.68

Polar Surface Area

145.233

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with K608-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K608-0018?
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What is the minimum amount of K608-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K608-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K608-0018
  • 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 K608-0018 available by request