C361-1454 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide

C361-1454 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide
C361-1454 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-1454
N-(3,4-dimethoxyphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]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

C361-1454

Molecular Formula

C23H28N2O6S (C23 H28 N2 O6 S)

Compound Name

N-(3,4-dimethoxyphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide

IUPAC name

N-(34-dimethoxyphenyl)-3-[(2-methyl-1-propanoyl-23-dihydro-1H-indol-5-yl)sulfonyl]propanamide

SMILES

CCC(N(C(C)C1)c(cc2)c1cc2S(CCC(Nc(cc1)cc(OC)c1OC)=O)(=O)=O)=O

InChI

InChI=1S/C23H28N2O6S/c1-5-23(27)25-15(2)12-16-13-18(7-8-19(16)25)32(28,29)11-10-22(26)24-17-6-9-20(30-3)21(14-17)31-4/h6-9,13-15H,5,10-12H2,1-4H3,(H,24,26)/t15-/m1/s1

InChI Key

RQENWXOCPOLDAN-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14752886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.094

Distribution Coefficient, logD

2.094

Water Solubility, LogSw

-3.07

Polar Surface Area

81.775

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C361-1454 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 C361-1454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-1454?
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What is the minimum amount of C361-1454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-1454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-1454
  • 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 C361-1454 available by request