D653-0150 Screening compound: ethyl 4-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}sulfonyl)benzoate

D653-0150 Screening compound: ethyl 4-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}sulfonyl)benzoate
D653-0150 Screening compound: ethyl 4-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}sulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0150
ethyl 4-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}sulfonyl)benzoate

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

D653-0150

Molecular Formula

C19H23N3O4S (C19 H23 N3 O4 S)

Compound Name

ethyl 4-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}sulfonyl)benzoate

IUPAC name

ethyl 4-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}sulfonyl)benzoate

SMILES

CCOC(c(cc1)ccc1S(N1CCN(Cc2ccncc2)CC1)(=O)=O)=O

InChI

InChI=1S/C19H23N3O4S/c1-2-26-19(23)17-3-5-18(6-4-17)27(24,25)22-13-11-21(12-14-22)15-16-7-9-20-10-8-16/h3-10H,2,11-15H2,1H3

InChI Key

NIDPQCTUFPUACX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17658666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

1.910

Water Solubility, LogSw

-2.38

Polar Surface Area

65.672

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D653-0150 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D653-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0150?
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What is the minimum amount of D653-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0150
  • 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 D653-0150 available by request