T380-0011 Screening compound: 5-(4-ethylphenyl)-4-methyl-3-[4-(propylsulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~-isothiazole-1,1-dione

T380-0011 Screening compound: 5-(4-ethylphenyl)-4-methyl-3-[4-(propylsulfonyl)-1,4-diazepan-1-yl]-1H-1lambda~6~-isothiazole-1,1-dione
T380-0011 Screening compound: 5-(4-ethylphenyl)-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 T380-0011
5-(4-ethylphenyl)-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

T380-0011

Molecular Formula

C20H29N3O4S2 (C20 H29 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCS(N(CCC1)CCN1C(C(C)=C1c2ccc(CC)cc2)=NS1(=O)=O)(=O)=O

InChI

InChI=1S/C20H29N3O4S2/c1-4-15-28(24,25)23-12-6-11-22(13-14-23)20-16(3)19(29(26,27)21-20)18-9-7-17(5-2)8-10-18/h7-10H,4-6,11-15H2,1-3H3

InChI Key

UTOCSIALMANWJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27619029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.141

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.15

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

55.00

T380-0011 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T380-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T380-0011?
Check Price and Availability of T380-0011, 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 T380-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T380-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T380-0011
  • 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 T380-0011 available by request