Y205-0448 Screening compound: (2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)(9H-xanthen-9-yl)methanone

Y205-0448 Screening compound: (2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)(9H-xanthen-9-yl)methanone
Y205-0448 Screening compound: (2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)(9H-xanthen-9-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-0448
(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)(9H-xanthen-9-yl)methanone

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

Y205-0448

Molecular Formula

C27H26N2O2 (C27 H26 N2 O2)

Compound Name

(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)(9H-xanthen-9-yl)methanone

IUPAC name

28-dimethyl-5-(9H-xanthene-9-carbonyl)-1H2H3H4H4aH5H9bH-pyrido[43-b]indole

SMILES

Cc(cc1)cc(C2C3CCN(C)C2)c1N3C(C1c(cccc2)c2Oc2c1cccc2)=O

InChI

InChI=1S/C27H26N2O2/c1-17-11-12-22-20(15-17)21-16-28(2)14-13-23(21)29(22)27(30)26-18-7-3-5-9-24(18)31-25-10-6-4-8-19(25)26/h3-12,15,21,23,26H,13-14,16H2,1-2H3

InChI Key

ZRTZWUHONCHQGS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.853

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.09

Polar Surface Area

25.005

Acid Dissociation Constant (pKa)

0.63

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.63

Y205-0448 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system

References: we are preparing a list of scientific research reports with Y205-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-0448?
Check Price and Availability of Y205-0448, 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 Y205-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-0448
  • 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 Y205-0448 available by request