G811-0445 Screening compound: 1-[1-(4-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-(thiophen-2-yl)ethan-1-one

G811-0445 Screening compound: 1-[1-(4-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-(thiophen-2-yl)ethan-1-one
G811-0445 Screening compound: 1-[1-(4-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G811-0445
1-[1-(4-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-(thiophen-2-yl)ethan-1-one

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

G811-0445

Molecular Formula

C24H22N2O2S (C24 H22 N2 O2 S)

Compound Name

1-[1-(4-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-[1-(4-methoxyphenyl)-1H2H3H4H9H-pyrido[34-b]indol-2-yl]-2-(thiophen-2-yl)ethan-1-one

SMILES

COc1ccc(C(c2c(CC3)c(cccc4)c4[nH]2)N3C(Cc2cccs2)=O)cc1

InChI

InChI=1S/C24H22N2O2S/c1-28-17-10-8-16(9-11-17)24-23-20(19-6-2-3-7-21(19)25-23)12-13-26(24)22(27)15-18-5-4-14-29-18/h2-11,14,24-25H,12-13,15H2,1H3/t24-/m1/s1

InChI Key

MUBBUUCKODMDJH-XMMPIXPASA-N

MDL Number (MFCD)

MFCD15038314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.693

Distribution Coefficient, logD

4.693

Water Solubility, LogSw

-4.48

Polar Surface Area

34.106

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

G811-0445 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G811-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G811-0445?
Check Price and Availability of G811-0445, 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 G811-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G811-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G811-0445
  • 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 G811-0445 available by request