Y040-9744 Screening compound: 1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-(7-methoxy-1H-indol-1-yl)ethan-1-one

Y040-9744 Screening compound: 1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-(7-methoxy-1H-indol-1-yl)ethan-1-one
Y040-9744 Screening compound: 1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-(7-methoxy-1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9744
1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-(7-methoxy-1H-indol-1-yl)ethan-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

Y040-9744

Molecular Formula

C21H22FN3O4S (C21 H22 FN3 O4 S)

Compound Name

1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-(7-methoxy-1H-indol-1-yl)ethan-1-one

IUPAC name

1-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-2-(7-methoxy-1H-indol-1-yl)ethan-1-one

SMILES

COc1c2n(CC(N(CC3)CCN3S(c(cc3)ccc3F)(=O)=O)=O)ccc2ccc1

InChI

InChI=1S/C21H22FN3O4S/c1-29-19-4-2-3-16-9-10-24(21(16)19)15-20(26)23-11-13-25(14-12-23)30(27,28)18-7-5-17(22)6-8-18/h2-10H,11-15H2,1H3

InChI Key

MJXMDHHUULTCRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12216244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.385

Distribution Coefficient, logD

2.385

Water Solubility, LogSw

-2.65

Polar Surface Area

57.395

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with Y040-9744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9744?
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What is the minimum amount of Y040-9744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9744
  • 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 Y040-9744 available by request