SC02-0168 Screening compound: N-[1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-N'-(3-methylphenyl)urea

SC02-0168 Screening compound: N-[1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-N'-(3-methylphenyl)urea
SC02-0168 Screening compound: N-[1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-N'-(3-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SC02-0168
N-[1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-N'-(3-methylphenyl)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

SC02-0168

Molecular Formula

C23H30N4O5 (C23 H30 N4 O5)

Compound Name

N-[1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-3-(2-methoxyethyl)tetrahydro-1H-pyrrol-3-yl]-N'-(3-methylphenyl)urea

IUPAC name

3-[1-(26-dimethoxypyridine-3-carbonyl)-3-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)urea

SMILES

Cc1cccc(NC(NC(CCOC)(CC2)CN2C(c(ccc(OC)n2)c2OC)=O)=O)c1

InChI

InChI=1S/C23H30N4O5/c1-16-6-5-7-17(14-16)24-22(29)26-23(11-13-30-2)10-12-27(15-23)21(28)18-8-9-19(31-3)25-20(18)32-4/h5-9,14H,10-13,15H2,1-4H3,(H2,24,26,29)/t23-/m1/s1

InChI Key

FDPMVJUATCTIOI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD32252764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-3.78

Polar Surface Area

83.365

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

SC02-0168 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 SC02-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC02-0168?
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What is the minimum amount of SC02-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC02-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC02-0168
  • 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 SC02-0168 available by request