SC02-0453 Screening compound: N-[1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

SC02-0453 Screening compound: N-[1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide
SC02-0453 Screening compound: N-[1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0453
N-[1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-3-(2-methoxyethyl)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

SC02-0453

Molecular Formula

C21H31N3O6 (C21 H31 N3 O6)

Compound Name

N-[1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

IUPAC name

N-[1-(26-dimethoxypyridine-3-carbonyl)-3-(2-methoxyethyl)pyrrolidin-3-yl]oxane-4-carboxamide

SMILES

COCCC(CC1)(CN1C(c(ccc(OC)n1)c1OC)=O)NC(C1CCOCC1)=O

InChI

InChI=1S/C21H31N3O6/c1-27-13-9-21(23-18(25)15-6-11-30-12-7-15)8-10-24(14-21)20(26)16-4-5-17(28-2)22-19(16)29-3/h4-5,15H,6-14H2,1-3H3,(H,23,25)/t21-/m1/s1

InChI Key

XPKJVQIWIFGCOV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32251579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.502

Distribution Coefficient, logD

1.502

Water Solubility, LogSw

-2.41

Polar Surface Area

82.254

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SC02-0453 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC02-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0453?
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What is the minimum amount of SC02-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0453
  • 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 SC02-0453 available by request