T379-0058 Screening compound: N~1~-(tert-butyl)-4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-1,4-diazepane-1-carboxamide

T379-0058 Screening compound: N~1~-(tert-butyl)-4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-1,4-diazepane-1-carboxamide
T379-0058 Screening compound: N~1~-(tert-butyl)-4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T379-0058
N~1~-(tert-butyl)-4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-1,4-diazepane-1-carboxamide

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

T379-0058

Molecular Formula

C20H27FN4O3S (C20 H27 FN4 O3 S)

Compound Name

N~1~-(tert-butyl)-4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-1,4-diazepane-1-carboxamide

IUPAC name

N-tert-butyl-4-[5-(4-fluorophenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]-14-diazepane-1-carboxamide

SMILES

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

InChI

InChI=1S/C20H27FN4O3S/c1-14-17(15-6-8-16(21)9-7-15)29(27,28)23-18(14)24-10-5-11-25(13-12-24)19(26)22-20(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,22,26)

InChI Key

SOOXJPLMUBWZNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-3.37

Polar Surface Area

69.156

Acid Dissociation Constant (pKa)

16.58

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

T379-0058 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 T379-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T379-0058?
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What is the minimum amount of T379-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T379-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T379-0058
  • 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 T379-0058 available by request