D038-1244 Screening compound: 2-(6-methyl-1-benzofuran-3-yl)-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide

D038-1244 Screening compound: 2-(6-methyl-1-benzofuran-3-yl)-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide
D038-1244 Screening compound: 2-(6-methyl-1-benzofuran-3-yl)-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-1244
2-(6-methyl-1-benzofuran-3-yl)-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}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

D038-1244

Molecular Formula

C23H26N2O4S (C23 H26 N2 O4 S)

Compound Name

2-(6-methyl-1-benzofuran-3-yl)-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide

IUPAC name

2-(6-methyl-1-benzofuran-3-yl)-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide

SMILES

CC(CCCC1)N1S(c(cc1)ccc1NC(Cc1coc2c1ccc(C)c2)=O)(=O)=O

InChI

InChI=1S/C23H26N2O4S/c1-16-6-11-21-18(15-29-22(21)13-16)14-23(26)24-19-7-9-20(10-8-19)30(27,28)25-12-4-3-5-17(25)2/h6-11,13,15,17H,3-5,12,14H2,1-2H3,(H,24,26)/t17-/m0/s1

InChI Key

VFEBPUHYMCTKAJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06648781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.28

Polar Surface Area

64.449

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

D038-1244 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D038-1244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-1244?
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What is the minimum amount of D038-1244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-1244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-1244
  • 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 D038-1244 available by request