G811-1245 Screening compound: 2-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]-1H-indole

G811-1245 Screening compound: 2-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]-1H-indole
G811-1245 Screening compound: 2-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound G811-1245
2-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]-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

G811-1245

Molecular Formula

C28H25N3O2 (C28 H25 N3 O2)

Compound Name

2-[1-(3-ethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]-1H-indole

IUPAC name

2-[1-(3-ethoxyphenyl)-1H2H3H4H9H-pyrido[34-b]indole-2-carbonyl]-1H-indole

SMILES

CCOc1cccc(C(c2c(CC3)c(cccc4)c4[nH]2)N3C(c2cc(cccc3)c3[nH]2)=O)c1

InChI

InChI=1S/C28H25N3O2/c1-2-33-20-10-7-9-19(16-20)27-26-22(21-11-4-6-13-24(21)30-26)14-15-31(27)28(32)25-17-18-8-3-5-12-23(18)29-25/h3-13,16-17,27,29-30H,2,14-15H2,1H3/t27-/m1/s1

InChI Key

DAOVAIMGDCYKIN-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD27162974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.272

Distribution Coefficient, logD

6.272

Water Solubility, LogSw

-6.62

Polar Surface Area

42.544

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

G811-1245 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 G811-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G811-1245?
Check Price and Availability of G811-1245, 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 G811-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G811-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G811-1245
  • 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 G811-1245 available by request