L059-0178 Screening compound: 4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)methyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}benzamide

L059-0178 Screening compound: 4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)methyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}benzamide
L059-0178 Screening compound: 4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)methyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L059-0178
4-[(4-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-1-yl)methyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}benzamide

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

L059-0178

Molecular Formula

C28H29N3O4 (C28 H29 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cccc1)c1N(Cc(cc1)ccc1C(NCc(cc1)ccc1OC(C)C)=O)C1=O)C1=O

InChI

InChI=1S/C28H29N3O4/c1-4-30-24-7-5-6-8-25(24)31(28(34)27(30)33)18-21-9-13-22(14-10-21)26(32)29-17-20-11-15-23(16-12-20)35-19(2)3/h5-16,19H,4,17-18H2,1-3H3,(H,29,32)

InChI Key

OMFQAUJNBFCFAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.053

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-3.97

Polar Surface Area

61.735

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L059-0178 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 L059-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L059-0178?
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What is the minimum amount of L059-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L059-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L059-0178
  • 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 L059-0178 available by request