T833-1868 Screening compound: 4-{3-ethyl-1-[(methylamino)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-(4-methylbenzyl)tetrahydro-1(2H)-pyrazinecarboxamide

T833-1868 Screening compound: 4-{3-ethyl-1-[(methylamino)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-(4-methylbenzyl)tetrahydro-1(2H)-pyrazinecarboxamide
T833-1868 Screening compound: 4-{3-ethyl-1-[(methylamino)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-(4-methylbenzyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T833-1868
4-{3-ethyl-1-[(methylamino)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-(4-methylbenzyl)tetrahydro-1(2H)-pyrazinecarboxamide

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

T833-1868

Molecular Formula

C21H33N5O2 (C21 H33 N5 O2)

Compound Name

4-{3-ethyl-1-[(methylamino)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N~1~-(4-methylbenzyl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-[3-ethyl-1-(methylcarbamoyl)pyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide

SMILES

CCC(CC1)(CN1C(NC)=O)N(CC1)CCN1C(NCc1ccc(C)cc1)=O

InChI

InChI=1S/C21H33N5O2/c1-4-21(9-10-25(16-21)19(27)22-3)26-13-11-24(12-14-26)20(28)23-15-18-7-5-17(2)6-8-18/h5-8H,4,9-16H2,1-3H3,(H,22,27)(H,23,28)/t21-/m0/s1

InChI Key

LJLVPVLODCSXAL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29018690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.219

Distribution Coefficient, logD

0.094

Water Solubility, LogSw

-2.63

Polar Surface Area

57.391

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

T833-1868 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T833-1868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T833-1868?
Check Price and Availability of T833-1868, 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 T833-1868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T833-1868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T833-1868
  • 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 T833-1868 available by request