C153-0604 Screening compound: 3-methyl-N-(2-methylcyclohexyl)-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide

C153-0604 Screening compound: 3-methyl-N-(2-methylcyclohexyl)-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide
C153-0604 Screening compound: 3-methyl-N-(2-methylcyclohexyl)-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C153-0604
3-methyl-N-(2-methylcyclohexyl)-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide

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

C153-0604

Molecular Formula

C21H28N2O5S (C21 H28 N2 O5 S)

Compound Name

3-methyl-N-(2-methylcyclohexyl)-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide

IUPAC name

3-methyl-N-(2-methylcyclohexyl)-5-(morpholine-4-sulfonyl)-1-benzofuran-2-carboxamide

SMILES

CC(CCCC1)C1NC(c1c(C)c(cc(cc2)S(N3CCOCC3)(=O)=O)c2o1)=O

InChI

InChI=1S/C21H28N2O5S/c1-14-5-3-4-6-18(14)22-21(24)20-15(2)17-13-16(7-8-19(17)28-20)29(25,26)23-9-11-27-12-10-23/h7-8,13-14,18H,3-6,9-12H2,1-2H3,(H,22,24)

InChI Key

JQGYKICGWLLNEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

3.708

Water Solubility, LogSw

-3.88

Polar Surface Area

72.913

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

C153-0604 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 C153-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C153-0604?
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What is the minimum amount of C153-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C153-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C153-0604
  • 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 C153-0604 available by request