T377-0011 Screening compound: N-{1-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-(3-methoxypropyl)urea

T377-0011 Screening compound: N-{1-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-(3-methoxypropyl)urea
T377-0011 Screening compound: N-{1-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-(3-methoxypropyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T377-0011
N-{1-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-(3-methoxypropyl)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

T377-0011

Molecular Formula

C22H32N4O4S (C22 H32 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1C1=C(C)C(N(CC2)CCC2NC(NCCCOC)=O)=NS1(=O)=O

InChI

InChI=1S/C22H32N4O4S/c1-4-17-6-8-18(9-7-17)20-16(2)21(25-31(20,28)29)26-13-10-19(11-14-26)24-22(27)23-12-5-15-30-3/h6-9,19H,4-5,10-15H2,1-3H3,(H2,23,24,27)

InChI Key

HNVOODYAVLRBOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.740

Distribution Coefficient, logD

2.740

Water Solubility, LogSw

-3.27

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

54.50

T377-0011 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with T377-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T377-0011?
Check Price and Availability of T377-0011, 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 T377-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T377-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T377-0011
  • 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 T377-0011 available by request