3786-1049 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylbenzene-1-sulfonamide

3786-1049 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylbenzene-1-sulfonamide
3786-1049 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3786-1049
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylbenzene-1-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

3786-1049

Molecular Formula

C27H27ClF3N3O3S (C27 H27 ClF3 N3 O3 S)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylbenzene-1-sulfonamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(CC(N1CCN(Cc2ccccc2)CC1)=O)c(cc1)cc(C(F)(F)F)c1Cl)(=O)=O

InChI

InChI=1S/C27H27ClF3N3O3S/c1-20-7-10-23(11-8-20)38(36,37)34(22-9-12-25(28)24(17-22)27(29,30)31)19-26(35)33-15-13-32(14-16-33)18-21-5-3-2-4-6-21/h2-12,17H,13-16,18-19H2,1H3

InChI Key

YZBMTMJFBMHCAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02808492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.179

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-5.51

Polar Surface Area

51.725

Acid Dissociation Constant (pKa)

20.32

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

3786-1049 in Drug Discovery

Included in Screening Libraries

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 3786-1049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3786-1049?
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What is the minimum amount of 3786-1049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3786-1049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3786-1049
  • 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 3786-1049 available by request