C450-0073 Screening compound: 1-acetyl-N-{1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-indole-5-sulfonamide

C450-0073 Screening compound: 1-acetyl-N-{1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-indole-5-sulfonamide
C450-0073 Screening compound: 1-acetyl-N-{1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0073
1-acetyl-N-{1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-indole-5-sulfonamide

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

C450-0073

Molecular Formula

C26H34N4O5S (C26 H34 N4 O5 S)

Compound Name

1-acetyl-N-{1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-acetyl-N-{1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-23-dihydro-1H-indole-5-sulfonamide

SMILES

CC(C)C(C(N(CC1)CCN1c1cc(OC)ccc1)=O)NS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C26H34N4O5S/c1-18(2)25(26(32)29-14-12-28(13-15-29)21-6-5-7-22(17-21)35-4)27-36(33,34)23-8-9-24-20(16-23)10-11-30(24)19(3)31/h5-9,16-18,25,27H,10-15H2,1-4H3/t25-/m0/s1

InChI Key

KPMJQHNQBBQALO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14759324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-3.61

Polar Surface Area

85.704

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with C450-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0073?
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What is the minimum amount of C450-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0073
  • 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 C450-0073 available by request