5176-4931 Screening compound: [2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]urea

5176-4931 Screening compound: [2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]urea
5176-4931 Screening compound: [2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5176-4931
[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]urea

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

5176-4931

Molecular Formula

C13H16N4O3 (C13 H16 N4 O3)

Compound Name

[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]urea

IUPAC name

[2-(67-dimethyl-3-oxo-1234-tetrahydroquinoxalin-2-yl)acetyl]urea

SMILES

Cc(c(C)c1)cc(NC2CC(NC(N)=O)=O)c1NC2=O

InChI

InChI=1S/C13H16N4O3/c1-6-3-8-9(4-7(6)2)16-12(19)10(15-8)5-11(18)17-13(14)20/h3-4,10,15H,5H2,1-2H3,(H,16,19)(H3,14,17,18,20)/t10-/m0/s1

InChI Key

HBHPXIDZYDCXJJ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD03622562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.627

Distribution Coefficient, logD

0.626

Water Solubility, LogSw

-1.78

Polar Surface Area

95.395

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

5176-4931 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5176-4931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5176-4931?
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What is the minimum amount of 5176-4931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5176-4931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5176-4931
  • 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 5176-4931 available by request