L058-0904 Screening compound: 3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide

L058-0904 Screening compound: 3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide
L058-0904 Screening compound: 3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L058-0904
3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide

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

L058-0904

Molecular Formula

C29H31N3O4 (C29 H31 N3 O4)

Compound Name

3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide

IUPAC name

3-{4-[(4-methylphenyl)methyl]-23-dioxo-1234-tetrahydroquinoxalin-1-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide

SMILES

CC(C)Oc1ccc(CNC(CCN(c(cccc2)c2N(Cc2ccc(C)cc2)C2=O)C2=O)=O)cc1

InChI

InChI=1S/C29H31N3O4/c1-20(2)36-24-14-12-22(13-15-24)18-30-27(33)16-17-31-25-6-4-5-7-26(25)32(29(35)28(31)34)19-23-10-8-21(3)9-11-23/h4-15,20H,16-19H2,1-3H3,(H,30,33)

InChI Key

FWGVSGOKNTYKMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.465

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.14

Polar Surface Area

61.776

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

L058-0904 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L058-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L058-0904?
Check Price and Availability of L058-0904, 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 L058-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L058-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L058-0904
  • 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 L058-0904 available by request