T377-0028 Screening compound: N-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-phenylurea

T377-0028 Screening compound: N-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-phenylurea
T377-0028 Screening compound: N-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound T377-0028
N-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-phenylurea

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

T377-0028

Molecular Formula

C22H23FN4O3S (C22 H23 FN4 O3 S)

Compound Name

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

IUPAC name

3-{1-[5-(4-fluorophenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]piperidin-4-yl}-1-phenylurea

SMILES

CC(C(N(CC1)CCC1NC(Nc1ccccc1)=O)=N1)=C(c(cc2)ccc2F)S1(=O)=O

InChI

InChI=1S/C22H23FN4O3S/c1-15-20(16-7-9-17(23)10-8-16)31(29,30)26-21(15)27-13-11-19(12-14-27)25-22(28)24-18-5-3-2-4-6-18/h2-10,19H,11-14H2,1H3,(H2,24,25,28)

InChI Key

JTFRRURASBUEEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.267

Distribution Coefficient, logD

3.267

Water Solubility, LogSw

-3.60

Polar Surface Area

76.289

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with T377-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T377-0028?
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What is the minimum amount of T377-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T377-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T377-0028
  • 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 T377-0028 available by request