SC02-0468 Screening compound: N-{3-(2-methoxyethyl)-1-[2-(4-methoxyphenoxy)acetyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-2H-pyran-4-carboxamide

SC02-0468 Screening compound: N-{3-(2-methoxyethyl)-1-[2-(4-methoxyphenoxy)acetyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-2H-pyran-4-carboxamide
SC02-0468 Screening compound: N-{3-(2-methoxyethyl)-1-[2-(4-methoxyphenoxy)acetyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-2H-pyran-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0468
N-{3-(2-methoxyethyl)-1-[2-(4-methoxyphenoxy)acetyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-2H-pyran-4-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

SC02-0468

Molecular Formula

C22H32N2O6 (C22 H32 N2 O6)

Compound Name

N-{3-(2-methoxyethyl)-1-[2-(4-methoxyphenoxy)acetyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-2H-pyran-4-carboxamide

IUPAC name

N-[3-(2-methoxyethyl)-1-[2-(4-methoxyphenoxy)acetyl]pyrrolidin-3-yl]oxane-4-carboxamide

SMILES

COCCC(CC1)(CN1C(COc(cc1)ccc1OC)=O)NC(C1CCOCC1)=O

InChI

InChI=1S/C22H32N2O6/c1-27-14-10-22(23-21(26)17-7-12-29-13-8-17)9-11-24(16-22)20(25)15-30-19-5-3-18(28-2)4-6-19/h3-6,17H,7-16H2,1-2H3,(H,23,26)/t22-/m1/s1

InChI Key

GGSYYGOSKPKQRN-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD32251700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.012

Distribution Coefficient, logD

1.012

Water Solubility, LogSw

-2.06

Polar Surface Area

72.408

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

SC02-0468 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC02-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0468?
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What is the minimum amount of SC02-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0468
  • 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 SC02-0468 available by request