K906-4618 Screening compound: 6-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-2,3,4,9-tetrahydro-1H-carbazole

K906-4618 Screening compound: 6-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-2,3,4,9-tetrahydro-1H-carbazole
K906-4618 Screening compound: 6-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-2,3,4,9-tetrahydro-1H-carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4618
6-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-2,3,4,9-tetrahydro-1H-carbazole

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

K906-4618

Molecular Formula

C23H26N2O3S (C23 H26 N2 O3 S)

Compound Name

6-[(2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-2,3,4,9-tetrahydro-1H-carbazole

IUPAC name

6-[(2-ethyl-6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)sulfonyl]-2349-tetrahydro-1H-carbazole

SMILES

CCC(C1)Oc(ccc(C)c2)c2N1S(c(cc1)cc2c1[nH]c1c2CCCC1)(=O)=O

InChI

InChI=1S/C23H26N2O3S/c1-3-16-14-25(22-12-15(2)8-11-23(22)28-16)29(26,27)17-9-10-21-19(13-17)18-6-4-5-7-20(18)24-21/h8-13,16,24H,3-7,14H2,1-2H3/t16-/m1/s1

InChI Key

BRUCDBKPQAECRN-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD15113771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.645

Distribution Coefficient, logD

4.645

Water Solubility, LogSw

-4.46

Polar Surface Area

49.404

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

K906-4618 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K906-4618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4618?
Check Price and Availability of K906-4618, 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 K906-4618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4618
  • 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 K906-4618 available by request