T201-0045 Screening compound: 2-(3,4-dimethoxyphenyl)-N-[4-(methylsulfanyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carboxamide

T201-0045 Screening compound: 2-(3,4-dimethoxyphenyl)-N-[4-(methylsulfanyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carboxamide
T201-0045 Screening compound: 2-(3,4-dimethoxyphenyl)-N-[4-(methylsulfanyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T201-0045
2-(3,4-dimethoxyphenyl)-N-[4-(methylsulfanyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-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

T201-0045

Molecular Formula

C23H26N4O3S (C23 H26 N4 O3 S)

Compound Name

2-(3,4-dimethoxyphenyl)-N-[4-(methylsulfanyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carboxamide

IUPAC name

2-(34-dimethoxyphenyl)-N-[4-(methylsulfanyl)phenyl]-4H5H6H7H8H-pyrazolo[15-a][14]diazepine-5-carboxamide

SMILES

COc(ccc(-c1nn(CCCN(C2)C(Nc(cc3)ccc3SC)=O)c2c1)c1)c1OC

InChI

InChI=1S/C23H26N4O3S/c1-29-21-10-5-16(13-22(21)30-2)20-14-18-15-26(11-4-12-27(18)25-20)23(28)24-17-6-8-19(31-3)9-7-17/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,24,28)

InChI Key

UEHGPHXEUHERLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-4.07

Polar Surface Area

54.499

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

T201-0045 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T201-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T201-0045?
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What is the minimum amount of T201-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T201-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T201-0045
  • 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 T201-0045 available by request