3909-7505 Screening compound: N-(2,4-dimethoxyphenyl)-2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide

3909-7505 Screening compound: N-(2,4-dimethoxyphenyl)-2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide
3909-7505 Screening compound: N-(2,4-dimethoxyphenyl)-2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-7505
N-(2,4-dimethoxyphenyl)-2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)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

3909-7505

Molecular Formula

C25H22FN3O3S (C25 H22 FN3 O3 S)

Compound Name

N-(2,4-dimethoxyphenyl)-2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide

IUPAC name

N-(24-dimethoxyphenyl)-2-({3-[(4-fluorophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide

SMILES

COc(cc1)cc(OC)c1NC(CSc1nc2ccccc2nc1Cc(cc1)ccc1F)=O

InChI

InChI=1S/C25H22FN3O3S/c1-31-18-11-12-21(23(14-18)32-2)28-24(30)15-33-25-22(13-16-7-9-17(26)10-8-16)27-19-5-3-4-6-20(19)29-25/h3-12,14H,13,15H2,1-2H3,(H,28,30)

InChI Key

VUIQRFADJUVGLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.012

Distribution Coefficient, logD

5.012

Water Solubility, LogSw

-4.72

Polar Surface Area

55.651

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

3909-7505 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3909-7505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-7505?
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What is the minimum amount of 3909-7505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-7505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-7505
  • 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 3909-7505 available by request