T833-2418 Screening compound: 1-(3-ethyltetrahydro-1H-pyrrol-3-yl)-4-(phenylsulfonyl)piperazine

T833-2418 Screening compound: 1-(3-ethyltetrahydro-1H-pyrrol-3-yl)-4-(phenylsulfonyl)piperazine
T833-2418 Screening compound: 1-(3-ethyltetrahydro-1H-pyrrol-3-yl)-4-(phenylsulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T833-2418
1-(3-ethyltetrahydro-1H-pyrrol-3-yl)-4-(phenylsulfonyl)piperazine

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

T833-2418

Molecular Formula

C16H25N3O2S (C16 H25 N3 O2 S)

Compound Name

1-(3-ethyltetrahydro-1H-pyrrol-3-yl)-4-(phenylsulfonyl)piperazine

IUPAC name

1-(benzenesulfonyl)-4-(3-ethylpyrrolidin-3-yl)piperazine

SMILES

CCC1(CNCC1)N(CC1)CCN1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C16H25N3O2S/c1-2-16(8-9-17-14-16)18-10-12-19(13-11-18)22(20,21)15-6-4-3-5-7-15/h3-7,17H,2,8-14H2,1H3/t16-/m0/s1

InChI Key

INWGSQVICPXXDR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29018104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.719

Distribution Coefficient, logD

0.216

Water Solubility, LogSw

-2.33

Polar Surface Area

47.248

Acid Dissociation Constant (pKa)

27.53

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

T833-2418 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T833-2418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T833-2418?
Check Price and Availability of T833-2418, 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 T833-2418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T833-2418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T833-2418
  • 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 T833-2418 available by request