6188-0362 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)(1,2-dimethyl-1H-indol-3-yl)methyl]-1,2-dimethyl-1H-indole

6188-0362 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)(1,2-dimethyl-1H-indol-3-yl)methyl]-1,2-dimethyl-1H-indole
6188-0362 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)(1,2-dimethyl-1H-indol-3-yl)methyl]-1,2-dimethyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6188-0362
3-[(2H-1,3-benzodioxol-5-yl)(1,2-dimethyl-1H-indol-3-yl)methyl]-1,2-dimethyl-1H-indole

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

6188-0362

Molecular Formula

C28H26N2O2 (C28 H26 N2 O2)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)(1,2-dimethyl-1H-indol-3-yl)methyl]-1,2-dimethyl-1H-indole

IUPAC name

3-[(2H-13-benzodioxol-5-yl)(12-dimethyl-1H-indol-3-yl)methyl]-12-dimethyl-1H-indole

SMILES

Cc1c(C(c2c(C)n(C)c3c2cccc3)c(cc2)cc3c2OCO3)c(cccc2)c2n1C

InChI

InChI=1S/C28H26N2O2/c1-17-26(20-9-5-7-11-22(20)29(17)3)28(19-13-14-24-25(15-19)32-16-31-24)27-18(2)30(4)23-12-8-6-10-21(23)27/h5-15,28H,16H2,1-4H3

InChI Key

BXFZRGSRPBMGBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03698541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.925

Distribution Coefficient, logD

5.925

Water Solubility, LogSw

-5.91

Polar Surface Area

21.375

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

6188-0362 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 6188-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6188-0362?
Check Price and Availability of 6188-0362, 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 6188-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6188-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6188-0362
  • 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 6188-0362 available by request