T380-0013 Screening compound: 5-(4-fluorophenyl)-4-methyl-3-[4-(propylsulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~-isothiazole-1,1-dione

T380-0013 Screening compound: 5-(4-fluorophenyl)-4-methyl-3-[4-(propylsulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~-isothiazole-1,1-dione
T380-0013 Screening compound: 5-(4-fluorophenyl)-4-methyl-3-[4-(propylsulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound T380-0013
5-(4-fluorophenyl)-4-methyl-3-[4-(propylsulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~-isothiazole-1,1-dione

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

T380-0013

Molecular Formula

C18H24FN3O4S2 (C18 H24 FN3 O4 S2)

Compound Name

5-(4-fluorophenyl)-4-methyl-3-[4-(propylsulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

5-(4-fluorophenyl)-4-methyl-3-[4-(propane-1-sulfonyl)-14-diazepan-1-yl]-1lambda62-thiazole-11-dione

SMILES

CCCS(N(CCC1)CCN1C(C(C)=C1c(cc2)ccc2F)=NS1(=O)=O)(=O)=O

InChI

InChI=1S/C18H24FN3O4S2/c1-3-13-27(23,24)22-10-4-9-21(11-12-22)18-14(2)17(28(25,26)20-18)15-5-7-16(19)8-6-15/h5-8H,3-4,9-13H2,1-2H3

InChI Key

HYADBYFHXDVZFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27619031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.239

Distribution Coefficient, logD

2.239

Water Solubility, LogSw

-2.53

Polar Surface Area

75.146

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

T380-0013 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T380-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T380-0013?
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What is the minimum amount of T380-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T380-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T380-0013
  • 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 T380-0013 available by request