S031-1284 Screening compound: 3-(CYCLOPENTYLAMINO)-N-(2-PHENYLETHYL)-1H,1'H-SPIRO[PYRIDO[2,3-B]PYRAZINE-2,3'-PYRROLIDINE]-1'-CARBOXAMIDE

S031-1284 Screening compound: 3-(CYCLOPENTYLAMINO)-N-(2-PHENYLETHYL)-1H,1'H-SPIRO[PYRIDO[2,3-B]PYRAZINE-2,3'-PYRROLIDINE]-1'-CARBOXAMIDE
S031-1284 Screening compound: 3-(CYCLOPENTYLAMINO)-N-(2-PHENYLETHYL)-1H,1'H-SPIRO[PYRIDO[2,3-B]PYRAZINE-2,3'-PYRROLIDINE]-1'-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S031-1284
3-(CYCLOPENTYLAMINO)-N-(2-PHENYLETHYL)-1H,1'H-SPIRO[PYRIDO[2,3-B]PYRAZINE-2,3'-PYRROLIDINE]-1'-CARBOXAMIDE

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

S031-1284

Molecular Formula

C24H30N6O (C24 H30 N6 O)

Compound Name

3-(CYCLOPENTYLAMINO)-N-(2-PHENYLETHYL)-1H,1'H-SPIRO[PYRIDO[2,3-B]PYRAZINE-2,3'-PYRROLIDINE]-1'-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(NCCc1ccccc1)N(CC1)CC11Nc(cccn2)c2N=C1NC1CCCC1

InChI

InChI=1S/C24H30N6O/c31-23(26-15-12-18-7-2-1-3-8-18)30-16-13-24(17-30)22(27-19-9-4-5-10-19)28-21-20(29-24)11-6-14-25-21/h1-3,6-8,11,14,19,29H,4-5,9-10,12-13,15-17H2,(H,26,31)(H,25,27,28)/t24-/m0/s1

InChI Key

LZUJCDYKDDWJNA-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD31952852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.429

Distribution Coefficient, logD

2.266

Water Solubility, LogSw

-3.59

Polar Surface Area

68.684

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

S031-1284 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S031-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S031-1284?
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What is the minimum amount of S031-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S031-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S031-1284
  • 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 S031-1284 available by request