S571-0244 Screening compound: 3-(3-ETHOXYPROPYL)-1-({1-METHYL-2-OXO-1H,2H,3H,4H,4AH,5H,6H-CYCLOPENTA[B]PYRIDIN-4A-YL}METHYL)UREA

S571-0244 Screening compound: 3-(3-ETHOXYPROPYL)-1-({1-METHYL-2-OXO-1H,2H,3H,4H,4AH,5H,6H-CYCLOPENTA[B]PYRIDIN-4A-YL}METHYL)UREA
S571-0244 Screening compound: 3-(3-ETHOXYPROPYL)-1-({1-METHYL-2-OXO-1H,2H,3H,4H,4AH,5H,6H-CYCLOPENTA[B]PYRIDIN-4A-YL}METHYL)UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0244
3-(3-ETHOXYPROPYL)-1-({1-METHYL-2-OXO-1H,2H,3H,4H,4AH,5H,6H-CYCLOPENTA[B]PYRIDIN-4A-YL}METHYL)UREA

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

S571-0244

Molecular Formula

C16H27N3O3 (C16 H27 N3 O3)

Compound Name

3-(3-ETHOXYPROPYL)-1-({1-METHYL-2-OXO-1H,2H,3H,4H,4AH,5H,6H-CYCLOPENTA[B]PYRIDIN-4A-YL}METHYL)UREA

IUPAC name

n/a

SMILES

CCOCCCNC(NCC1(CCC(N2C)=O)C2=CCC1)=O

InChI

InChI=1S/C16H27N3O3/c1-3-22-11-5-10-17-15(21)18-12-16-8-4-6-13(16)19(2)14(20)7-9-16/h6H,3-5,7-12H2,1-2H3,(H2,17,18,21)/t16-/m0/s1

InChI Key

RWLZVRAQUVDWLA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31974279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.770

Distribution Coefficient, logD

0.770

Water Solubility, LogSw

-1.11

Polar Surface Area

59.071

Acid Dissociation Constant (pKa)

15.83

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S571-0244 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S571-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0244?
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What is the minimum amount of S571-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0244
  • 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 S571-0244 available by request