T833-1775 Screening compound: 3-ethyl-N~1~-methyl-3-(4-{[5-(trifluoromethyl)-2-thienyl]carbonyl}piperazino)-1-pyrrolidinecarboxamide

T833-1775 Screening compound: 3-ethyl-N~1~-methyl-3-(4-{[5-(trifluoromethyl)-2-thienyl]carbonyl}piperazino)-1-pyrrolidinecarboxamide
T833-1775 Screening compound: 3-ethyl-N~1~-methyl-3-(4-{[5-(trifluoromethyl)-2-thienyl]carbonyl}piperazino)-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T833-1775
3-ethyl-N~1~-methyl-3-(4-{[5-(trifluoromethyl)-2-thienyl]carbonyl}piperazino)-1-pyrrolidinecarboxamide

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

T833-1775

Molecular Formula

C18H25F3N4O2S (C18 H25 F3 N4 O2 S)

Compound Name

3-ethyl-N~1~-methyl-3-(4-{[5-(trifluoromethyl)-2-thienyl]carbonyl}piperazino)-1-pyrrolidinecarboxamide

IUPAC name

n/a

SMILES

CCC(CC1)(CN1C(NC)=O)N(CC1)CCN1C(c1ccc(C(F)(F)F)s1)=O

InChI

InChI=1S/C18H25F3N4O2S/c1-3-17(6-7-24(12-17)16(27)22-2)25-10-8-23(9-11-25)15(26)13-4-5-14(28-13)18(19,20)21/h4-5H,3,6-12H2,1-2H3,(H,22,27)/t17-/m0/s1

InChI Key

AYLZYDNHWHTOHH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28994939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.155

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-3.19

Polar Surface Area

48.267

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

T833-1775 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T833-1775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T833-1775?
Check Price and Availability of T833-1775, 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 T833-1775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T833-1775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T833-1775
  • 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 T833-1775 available by request