G120-0399 Screening compound: methyl 2-({1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)-4-chlorobenzoate

G120-0399 Screening compound: methyl 2-({1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)-4-chlorobenzoate
G120-0399 Screening compound: methyl 2-({1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)-4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G120-0399
methyl 2-({1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)-4-chlorobenzoate

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

G120-0399

Molecular Formula

C20H20ClN3O3 (C20 H20 ClN3 O3)

Compound Name

methyl 2-({1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)-4-chlorobenzoate

IUPAC name

methyl 2-({1H2H3H3aH4H5H-pyrrolo[12-a]quinoxaline-5-carbonyl}amino)-4-chlorobenzoate

SMILES

COC(c(ccc(Cl)c1)c1NC(N1c(cccc2)c2N(CCC2)C2C1)=O)=O

InChI

InChI=1S/C20H20ClN3O3/c1-27-19(25)15-9-8-13(21)11-16(15)22-20(26)24-12-14-5-4-10-23(14)17-6-2-3-7-18(17)24/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,22,26)/t14-/m1/s1

InChI Key

MLANPUNDRCVMFK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14982255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.163

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.45

Polar Surface Area

47.774

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G120-0399 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G120-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G120-0399?
Check Price and Availability of G120-0399, 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 G120-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G120-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G120-0399
  • 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 G120-0399 available by request