T377-0051 Screening compound: N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-isobutylurea

T377-0051 Screening compound: N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-isobutylurea
T377-0051 Screening compound: N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-isobutylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound T377-0051
N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-isobutylurea

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

T377-0051

Molecular Formula

C22H32N4O3S (C22 H32 N4 O3 S)

Compound Name

N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-isobutylurea

IUPAC name

1-{1-[5-(34-dimethylphenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]piperidin-4-yl}-3-(2-methylpropyl)urea

SMILES

CC(C)CNC(NC(CC1)CCN1C(C(C)=C1c2cc(C)c(C)cc2)=NS1(=O)=O)=O

InChI

InChI=1S/C22H32N4O3S/c1-14(2)13-23-22(27)24-19-8-10-26(11-9-19)21-17(5)20(30(28,29)25-21)18-7-6-15(3)16(4)12-18/h6-7,12,14,19H,8-11,13H2,1-5H3,(H2,23,24,27)

InChI Key

XZBBOAVXQPRMHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

3.674

Water Solubility, LogSw

-3.90

Polar Surface Area

77.882

Acid Dissociation Constant (pKa)

17.44

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

T377-0051 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T377-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T377-0051?
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What is the minimum amount of T377-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T377-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T377-0051
  • 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 T377-0051 available by request