7472-0117 Screening compound: 2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

7472-0117 Screening compound: 2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
7472-0117 Screening compound: 2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7472-0117
2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

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

7472-0117

Molecular Formula

C21H28N4O2S (C21 H28 N4 O2 S)

Compound Name

2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

SMILES

CC(CC1)CCN1c1nc2ccccc2nc1SCC(NCC1OCCC1)=O

InChI

InChI=1S/C21H28N4O2S/c1-15-8-10-25(11-9-15)20-21(24-18-7-3-2-6-17(18)23-20)28-14-19(26)22-13-16-5-4-12-27-16/h2-3,6-7,15-16H,4-5,8-14H2,1H3,(H,22,26)/t16-/m1/s1

InChI Key

HKHILVJCJSLJHF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14712640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.559

Water Solubility, LogSw

-3.64

Polar Surface Area

53.543

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

7472-0117 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7472-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7472-0117?
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What is the minimum amount of 7472-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7472-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7472-0117
  • 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 7472-0117 available by request