T377-0017 Screening compound: N-(3-methoxypropyl)-N'-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}urea

T377-0017 Screening compound: N-(3-methoxypropyl)-N'-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}urea
T377-0017 Screening compound: N-(3-methoxypropyl)-N'-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T377-0017
N-(3-methoxypropyl)-N'-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}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

T377-0017

Molecular Formula

C21H30N4O4S (C21 H30 N4 O4 S)

Compound Name

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

IUPAC name

3-(3-methoxypropyl)-1-{1-[4-methyl-5-(4-methylphenyl)-11-dioxo-1lambda62-thiazol-3-yl]piperidin-4-yl}urea

SMILES

CC(C(N(CC1)CCC1NC(NCCCOC)=O)=N1)=C(c2ccc(C)cc2)S1(=O)=O

InChI

InChI=1S/C21H30N4O4S/c1-15-5-7-17(8-6-15)19-16(2)20(24-30(19,27)28)25-12-9-18(10-13-25)23-21(26)22-11-4-14-29-3/h5-8,18H,4,9-14H2,1-3H3,(H2,22,23,26)

InChI Key

IYQCBZSNPHLGLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.233

Distribution Coefficient, logD

2.233

Water Solubility, LogSw

-2.71

Polar Surface Area

86.066

Acid Dissociation Constant (pKa)

17.26

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

T377-0017 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 T377-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T377-0017?
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What is the minimum amount of T377-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T377-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T377-0017
  • 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 T377-0017 available by request