Y043-0592 Screening compound: {4-[(4-methoxyphenyl)sulfonyl]piperazino}(1-methyl-1H-indol-6-yl)methanone

Y043-0592 Screening compound: {4-[(4-methoxyphenyl)sulfonyl]piperazino}(1-methyl-1H-indol-6-yl)methanone
Y043-0592 Screening compound: {4-[(4-methoxyphenyl)sulfonyl]piperazino}(1-methyl-1H-indol-6-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0592
{4-[(4-methoxyphenyl)sulfonyl]piperazino}(1-methyl-1H-indol-6-yl)methanone

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

Y043-0592

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

{4-[(4-methoxyphenyl)sulfonyl]piperazino}(1-methyl-1H-indol-6-yl)methanone

IUPAC name

6-[4-(4-methoxybenzenesulfonyl)piperazine-1-carbonyl]-1-methyl-1H-indole

SMILES

Cn(cc1)c2c1ccc(C(N(CC1)CCN1S(c(cc1)ccc1OC)(=O)=O)=O)c2

InChI

InChI=1S/C21H23N3O4S/c1-22-10-9-16-3-4-17(15-20(16)22)21(25)23-11-13-24(14-12-23)29(26,27)19-7-5-18(28-2)6-8-19/h3-10,15H,11-14H2,1-2H3

InChI Key

NYWZJPBBUSYKIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16626773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.488

Distribution Coefficient, logD

2.488

Water Solubility, LogSw

-2.98

Polar Surface Area

58.616

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y043-0592 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0592?
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What is the minimum amount of Y043-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0592
  • 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 Y043-0592 available by request