L058-0711 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2,3-dioxo-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxalin-1-yl]propanamide

L058-0711 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2,3-dioxo-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxalin-1-yl]propanamide
L058-0711 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2,3-dioxo-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxalin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L058-0711
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2,3-dioxo-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxalin-1-yl]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

L058-0711

Molecular Formula

C21H24N4O4 (C21 H24 N4 O4)

Compound Name

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2,3-dioxo-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxalin-1-yl]propanamide

IUPAC name

N-[2-(35-dimethyl-12-oxazol-4-yl)ethyl]-3-[23-dioxo-4-(prop-2-en-1-yl)-1234-tetrahydroquinoxalin-1-yl]propanamide

SMILES

Cc1noc(C)c1CCNC(CCN(c(cccc1)c1N(CC=C)C1=O)C1=O)=O

InChI

InChI=1S/C21H24N4O4/c1-4-12-24-17-7-5-6-8-18(17)25(21(28)20(24)27)13-10-19(26)22-11-9-16-14(2)23-29-15(16)3/h4-8H,1,9-13H2,2-3H3,(H,22,26)

InChI Key

ZOURZWIUQHMCTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.265

Distribution Coefficient, logD

1.265

Water Solubility, LogSw

-1.92

Polar Surface Area

77.103

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L058-0711 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 L058-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L058-0711?
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What is the minimum amount of L058-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L058-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L058-0711
  • 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 L058-0711 available by request