L780-0102 Screening compound: 2,2-dimethyl-N-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)propanamide

L780-0102 Screening compound: 2,2-dimethyl-N-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)propanamide
L780-0102 Screening compound: 2,2-dimethyl-N-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L780-0102
2,2-dimethyl-N-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)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

L780-0102

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

2,2-dimethyl-N-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)propanamide

IUPAC name

22-dimethyl-N-(4-{[(3-oxo-34-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)propanamide

SMILES

CC(C)(C)C(Nc(cc1)ccc1SCC1=Nc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C20H21N3O2S/c1-20(2,3)19(25)21-13-8-10-14(11-9-13)26-12-17-18(24)23-16-7-5-4-6-15(16)22-17/h4-11H,12H2,1-3H3,(H,21,25)(H,23,24)

InChI Key

RZUZWLUNZTVHPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-3.89

Polar Surface Area

56.219

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with L780-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L780-0102?
Check Price and Availability of L780-0102, 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 L780-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L780-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L780-0102
  • 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 L780-0102 available by request