T379-0070 Screening compound: 4-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~1~-isopropyl-1,4-diazepane-1-carboxamide

T379-0070 Screening compound: 4-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~1~-isopropyl-1,4-diazepane-1-carboxamide
T379-0070 Screening compound: 4-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~1~-isopropyl-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T379-0070
4-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~1~-isopropyl-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

T379-0070

Molecular Formula

C21H30N4O3S (C21 H30 N4 O3 S)

Compound Name

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

IUPAC name

4-[5-(34-dimethylphenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]-N-(propan-2-yl)-14-diazepane-1-carboxamide

SMILES

CC(C)NC(N(CCC1)CCN1C(C(C)=C1c2cc(C)c(C)cc2)=NS1(=O)=O)=O

InChI

InChI=1S/C21H30N4O3S/c1-14(2)22-21(26)25-10-6-9-24(11-12-25)20-17(5)19(29(27,28)23-20)18-8-7-15(3)16(4)13-18/h7-8,13-14H,6,9-12H2,1-5H3,(H,22,26)

InChI Key

MROXXLVWFLLXGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

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

3.500

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-3.81

Polar Surface Area

69.306

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

T379-0070 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 T379-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T379-0070?
Check Price and Availability of T379-0070, 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 T379-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T379-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T379-0070
  • 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 T379-0070 available by request