8018-5536 Screening compound: 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]-3,3-dimethylbutanoic acid

8018-5536 Screening compound: 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]-3,3-dimethylbutanoic acid
8018-5536 Screening compound: 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]-3,3-dimethylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5536
4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]-3,3-dimethylbutanoic acid

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

8018-5536

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]-3,3-dimethylbutanoic acid

IUPAC name

4-[(23-dimethylquinoxalin-6-yl)carbamoyl]-33-dimethylbutanoic acid

SMILES

CC(C)(CC(Nc1cc2nc(C)c(C)nc2cc1)=O)CC(O)=O

InChI

InChI=1S/C17H21N3O3/c1-10-11(2)19-14-7-12(5-6-13(14)18-10)20-15(21)8-17(3,4)9-16(22)23/h5-7H,8-9H2,1-4H3,(H,20,21)(H,22,23)

InChI Key

QYUGBMLFOORWSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

-0.396

Water Solubility, LogSw

-2.76

Polar Surface Area

69.858

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

8018-5536 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Others
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-5536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5536?
Check Price and Availability of 8018-5536, 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 8018-5536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5536
  • 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 8018-5536 available by request