T377-0013 Screening compound: N-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-(3-methoxypropyl)urea

T377-0013 Screening compound: N-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-N'-(3-methoxypropyl)urea
T377-0013 Screening compound: N-{1-[5-(4-fluorophenyl)-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 T377-0013
N-{1-[5-(4-fluorophenyl)-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

T377-0013

Molecular Formula

C20H27FN4O4S (C20 H27 FN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H27FN4O4S/c1-14-18(15-4-6-16(21)7-5-15)30(27,28)24-19(14)25-11-8-17(9-12-25)23-20(26)22-10-3-13-29-2/h4-7,17H,3,8-13H2,1-2H3,(H2,22,23,26)

InChI Key

NUYCVMMPHDHLGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.52

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

1.838

Distribution Coefficient, logD

1.838

Water Solubility, LogSw

-2.48

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

50.00

T377-0013 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 T377-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T377-0013?
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What is the minimum amount of T377-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T377-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T377-0013
  • 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 T377-0013 available by request