T990-4458 Screening compound: 3-[4-(3-fluoro-4-methylbenzenesulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one

T990-4458 Screening compound: 3-[4-(3-fluoro-4-methylbenzenesulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one
T990-4458 Screening compound: 3-[4-(3-fluoro-4-methylbenzenesulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T990-4458
3-[4-(3-fluoro-4-methylbenzenesulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one

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

T990-4458

Molecular Formula

C21H25FN4O3S (C21 H25 FN4 O3 S)

Compound Name

3-[4-(3-fluoro-4-methylbenzenesulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one

IUPAC name

3-[4-(3-fluoro-4-methylbenzenesulfonyl)piperazin-1-yl]-1-[(pyridin-3-yl)methyl]pyrrolidin-2-one

SMILES

Cc(ccc(S(N(CC1)CCN1C(CCN1Cc2cnccc2)C1=O)(=O)=O)c1)c1F

InChI

InChI=1S/C21H25FN4O3S/c1-16-4-5-18(13-19(16)22)30(28,29)26-11-9-24(10-12-26)20-6-8-25(21(20)27)15-17-3-2-7-23-14-17/h2-5,7,13-14,20H,6,8-12,15H2,1H3/t20-/m0/s1

InChI Key

KYTDPSVNVBTZHW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD28999895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.526

Distribution Coefficient, logD

1.525

Water Solubility, LogSw

-1.87

Polar Surface Area

60.818

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

T990-4458 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T990-4458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T990-4458?
Check Price and Availability of T990-4458, 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 T990-4458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T990-4458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T990-4458
  • 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 T990-4458 available by request