S031-1203 Screening compound: N-cyclopentyl-1'-[5-(trifluoromethyl)thiophene-2-carbonyl]-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-3-amine

S031-1203 Screening compound: N-cyclopentyl-1'-[5-(trifluoromethyl)thiophene-2-carbonyl]-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-3-amine
S031-1203 Screening compound: N-cyclopentyl-1'-[5-(trifluoromethyl)thiophene-2-carbonyl]-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S031-1203
N-cyclopentyl-1'-[5-(trifluoromethyl)thiophene-2-carbonyl]-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-3-amine

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

S031-1203

Molecular Formula

C21H22F3N5OS (C21 H22 F3 N5 OS)

Compound Name

N-cyclopentyl-1'-[5-(trifluoromethyl)thiophene-2-carbonyl]-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-3-amine

IUPAC name

N-cyclopentyl-1'-[5-(trifluoromethyl)thiophene-2-carbonyl]-1H-spiro[pyrido[23-b]pyrazine-23'-pyrrolidin]-3-amine

SMILES

O=C(c1ccc(C(F)(F)F)s1)N(CC1)CC11Nc(cccn2)c2N=C1NC1CCCC1

InChI

InChI=1S/C21H22F3N5OS/c22-21(23,24)16-8-7-15(31-16)18(30)29-11-9-20(12-29)19(26-13-4-1-2-5-13)27-17-14(28-20)6-3-10-25-17/h3,6-8,10,13,28H,1-2,4-5,9,11-12H2,(H,25,26,27)/t20-/m0/s1

InChI Key

FPNKWWQOHZOQFK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27617220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.334

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-4.17

Polar Surface Area

59.717

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

S031-1203 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

TLR-8 ligands Library (674 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
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Female
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S031-1203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S031-1203?
Check Price and Availability of S031-1203, 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 S031-1203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S031-1203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S031-1203
  • 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 S031-1203 available by request