T377-0074 Screening compound: N-allyl-N'-{1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}urea

T377-0074 Screening compound: N-allyl-N'-{1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}urea
T377-0074 Screening compound: N-allyl-N'-{1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T377-0074
N-allyl-N'-{1-[5-(4-chlorophenyl)-4-methyl-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

T377-0074

Molecular Formula

C19H23ClN4O3S (C19 H23 ClN4 O3 S)

Compound Name

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

IUPAC name

1-{1-[5-(4-chlorophenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]piperidin-4-yl}-3-(prop-2-en-1-yl)urea

SMILES

CC(C(N(CC1)CCC1NC(NCC=C)=O)=N1)=C(c(cc2)ccc2Cl)S1(=O)=O

InChI

InChI=1S/C19H23ClN4O3S/c1-3-10-21-19(25)22-16-8-11-24(12-9-16)18-13(2)17(28(26,27)23-18)14-4-6-15(20)7-5-14/h3-7,16H,1,8-12H2,2H3,(H2,21,22,25)

InChI Key

FUOWINNNHUNJKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.94

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

2.592

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.60

Polar Surface Area

77.724

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

T377-0074 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T377-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T377-0074?
Check Price and Availability of T377-0074, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T377-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T377-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T377-0074
  • 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 T377-0074 available by request