T202-0576 Screening compound: 2-(3,4-dimethylphenyl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

T202-0576 Screening compound: 2-(3,4-dimethylphenyl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
T202-0576 Screening compound: 2-(3,4-dimethylphenyl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T202-0576
2-(3,4-dimethylphenyl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

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

T202-0576

Molecular Formula

C21H27N5O2S (C21 H27 N5 O2 S)

Compound Name

2-(3,4-dimethylphenyl)-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

IUPAC name

4-{[2-(34-dimethylphenyl)-4H5H6H7H8H-pyrazolo[15-a][14]diazepin-5-yl]sulfonyl}-135-trimethyl-1H-pyrazole

SMILES

Cc(n(C)nc1C)c1S(N1Cc2cc(-c3cc(C)c(C)cc3)nn2CCC1)(=O)=O

InChI

InChI=1S/C21H27N5O2S/c1-14-7-8-18(11-15(14)2)20-12-19-13-25(9-6-10-26(19)23-20)29(27,28)21-16(3)22-24(5)17(21)4/h7-8,11-12H,6,9-10,13H2,1-5H3

InChI Key

OYWTVGFARVIHEK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.420

Distribution Coefficient, logD

2.420

Water Solubility, LogSw

-2.70

Polar Surface Area

60.319

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

T202-0576 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Hsp90-Targeted Library (11355 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Alpha-Helix Mimetics Library (25899 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
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T202-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T202-0576?
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What is the minimum amount of T202-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T202-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T202-0576
  • 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 T202-0576 available by request