T377-0031 Screening compound: N-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-N'-(2-methylphenyl)urea

T377-0031 Screening compound: N-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-N'-(2-methylphenyl)urea
T377-0031 Screening compound: N-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-N'-(2-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T377-0031
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-N'-(2-methylphenyl)urea

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

T377-0031

Molecular Formula

C23H26N4O3S (C23 H26 N4 O3 S)

Compound Name

N-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-N'-(2-methylphenyl)urea

IUPAC name

3-[1-(4-methyl-11-dioxo-5-phenyl-1lambda62-thiazol-3-yl)piperidin-4-yl]-1-(2-methylphenyl)urea

SMILES

CC(C(N(CC1)CCC1NC(Nc1c(C)cccc1)=O)=N1)=C(c2ccccc2)S1(=O)=O

InChI

InChI=1S/C23H26N4O3S/c1-16-8-6-7-11-20(16)25-23(28)24-19-12-14-27(15-13-19)22-17(2)21(31(29,30)26-22)18-9-4-3-5-10-18/h3-11,19H,12-15H2,1-2H3,(H2,24,25,28)

InChI Key

PCWPQZWYVMXFSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

3.120

Water Solubility, LogSw

-3.37

Polar Surface Area

75.591

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with T377-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T377-0031?
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What is the minimum amount of T377-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T377-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T377-0031
  • 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 T377-0031 available by request