G212-0413 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[3-(propan-2-yloxy)propyl]butanamide

G212-0413 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[3-(propan-2-yloxy)propyl]butanamide
G212-0413 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[3-(propan-2-yloxy)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G212-0413
4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[3-(propan-2-yloxy)propyl]butanamide

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

G212-0413

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[3-(propan-2-yloxy)propyl]butanamide

IUPAC name

4-{1H2H3H3aH4H5H-pyrrolo[12-a]quinoxalin-5-yl}-4-oxo-N-[3-(propan-2-yloxy)propyl]butanamide

SMILES

CC(C)OCCCNC(CCC(N1c(cccc2)c2N(CCC2)C2C1)=O)=O

InChI

InChI=1S/C21H31N3O3/c1-16(2)27-14-6-12-22-20(25)10-11-21(26)24-15-17-7-5-13-23(17)18-8-3-4-9-19(18)24/h3-4,8-9,16-17H,5-7,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1

InChI Key

CIGZGMKEPAJEAG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14986782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.528

Distribution Coefficient, logD

1.528

Water Solubility, LogSw

-2.13

Polar Surface Area

49.736

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

G212-0413 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G212-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G212-0413?
Check Price and Availability of G212-0413, 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 G212-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G212-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G212-0413
  • 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 G212-0413 available by request