F090-0218 Screening compound: 2-amino-1-(4-butylphenyl)-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

F090-0218 Screening compound: 2-amino-1-(4-butylphenyl)-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
F090-0218 Screening compound: 2-amino-1-(4-butylphenyl)-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F090-0218
2-amino-1-(4-butylphenyl)-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

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

F090-0218

Molecular Formula

C29H29N5O (C29 H29 N5 O)

Compound Name

2-amino-1-(4-butylphenyl)-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

IUPAC name

2-amino-1-(4-butylphenyl)-N-(1-phenylethyl)-1H-pyrrolo[23-b]quinoxaline-3-carboxamide

SMILES

CCCCc(cc1)ccc1-n1c2nc3ccccc3nc2c(C(NC(C)c2ccccc2)=O)c1N

InChI

InChI=1S/C29H29N5O/c1-3-4-10-20-15-17-22(18-16-20)34-27(30)25(29(35)31-19(2)21-11-6-5-7-12-21)26-28(34)33-24-14-9-8-13-23(24)32-26/h5-9,11-19H,3-4,10,30H2,1-2H3,(H,31,35)/t19-/m0/s1

InChI Key

NSWOACZYDGBZOO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03303247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.124

Distribution Coefficient, logD

6.124

Water Solubility, LogSw

-5.53

Polar Surface Area

63.559

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

8.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

F090-0218 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F090-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F090-0218?
Check Price and Availability of F090-0218, 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 F090-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F090-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F090-0218
  • 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 F090-0218 available by request