T377-0091 Screening compound: N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-methylurea

T377-0091 Screening compound: N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-methylurea
T377-0091 Screening compound: N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound T377-0091
N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-methylurea

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

T377-0091

Molecular Formula

C19H26N4O3S (C19 H26 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'-methylurea

IUPAC name

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

SMILES

CC(C(N(CC1)CCC1NC(NC)=O)=N1)=C(c2cc(C)c(C)cc2)S1(=O)=O

InChI

InChI=1S/C19H26N4O3S/c1-12-5-6-15(11-13(12)2)17-14(3)18(22-27(17,25)26)23-9-7-16(8-10-23)21-19(24)20-4/h5-6,11,16H,7-10H2,1-4H3,(H2,20,21,24)

InChI Key

IIAUNCNOPRJSNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.413

Distribution Coefficient, logD

2.413

Water Solubility, LogSw

-2.75

Polar Surface Area

78.033

Acid Dissociation Constant (pKa)

16.89

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

T377-0091 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 T377-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T377-0091?
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What is the minimum amount of T377-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T377-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T377-0091
  • 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 T377-0091 available by request