K906-0898 Screening compound: ethyl 2-[1-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonamido)cyclohexyl]acetate

K906-0898 Screening compound: ethyl 2-[1-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonamido)cyclohexyl]acetate
K906-0898 Screening compound: ethyl 2-[1-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonamido)cyclohexyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-0898
ethyl 2-[1-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonamido)cyclohexyl]acetate

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

K906-0898

Molecular Formula

C20H27BrN2O5S (C20 H27 BrN2 O5 S)

Compound Name

ethyl 2-[1-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonamido)cyclohexyl]acetate

IUPAC name

ethyl 2-[1-(1-acetyl-5-bromo-23-dihydro-1H-indole-6-sulfonamido)cyclohexyl]acetate

SMILES

CCOC(CC1(CCCCC1)NS(c(cc(c(CC1)c2)N1C(C)=O)c2Br)(=O)=O)=O

InChI

InChI=1S/C20H27BrN2O5S/c1-3-28-19(25)13-20(8-5-4-6-9-20)22-29(26,27)18-12-17-15(11-16(18)21)7-10-23(17)14(2)24/h11-12,22H,3-10,13H2,1-2H3

InChI Key

HWSIJEFBCJEUGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-3.51

Polar Surface Area

78.829

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

K906-0898 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K906-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-0898?
Check Price and Availability of K906-0898, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K906-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-0898
  • 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 K906-0898 available by request