C361-0360 Screening compound: 1-(2-methyl-5-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)propan-1-one

C361-0360 Screening compound: 1-(2-methyl-5-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)propan-1-one
C361-0360 Screening compound: 1-(2-methyl-5-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-0360
1-(2-methyl-5-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)propan-1-one

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

C361-0360

Molecular Formula

C22H26N4O5S (C22 H26 N4 O5 S)

Compound Name

1-(2-methyl-5-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)propan-1-one

IUPAC name

1-(2-methyl-5-{[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl}-23-dihydro-1H-indol-1-yl)propan-1-one

SMILES

CCC(N(C(C)C1)c(cc2)c1cc2S(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O

InChI

InChI=1S/C22H26N4O5S/c1-3-22(27)25-16(2)14-17-15-20(8-9-21(17)25)32(30,31)24-12-10-23(11-13-24)18-4-6-19(7-5-18)26(28)29/h4-9,15-16H,3,10-14H2,1-2H3/t16-/m1/s1

InChI Key

OMBBTEAXQJIANI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14752547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.418

Distribution Coefficient, logD

3.418

Water Solubility, LogSw

-3.95

Polar Surface Area

82.953

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C361-0360 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 C361-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-0360?
Check Price and Availability of C361-0360, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C361-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-0360
  • 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 C361-0360 available by request