SC01-0317 Screening compound: N'-cyclopentyl-N-(2-{5-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylurea

SC01-0317 Screening compound: N'-cyclopentyl-N-(2-{5-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylurea
SC01-0317 Screening compound: N'-cyclopentyl-N-(2-{5-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound SC01-0317
N'-cyclopentyl-N-(2-{5-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylurea

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

SC01-0317

Molecular Formula

C21H30N6O3 (C21 H30 N6 O3)

Compound Name

N'-cyclopentyl-N-(2-{5-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylurea

IUPAC name

1-cyclopentyl-3-(2-{5-[1-(cyclopropylmethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]-124-oxadiazol-3-yl}ethyl)-3-methylurea

SMILES

CN(CCc1noc(-c2nn(CC3CC3)c3c2COCC3)n1)C(NC1CCCC1)=O

InChI

InChI=1S/C21H30N6O3/c1-26(21(28)22-15-4-2-3-5-15)10-8-18-23-20(30-25-18)19-16-13-29-11-9-17(16)27(24-19)12-14-6-7-14/h14-15H,2-13H2,1H3,(H,22,28)

InChI Key

NIQOGHQLMTYJGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32251077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.235

Distribution Coefficient, logD

2.235

Water Solubility, LogSw

-2.37

Polar Surface Area

82.580

Acid Dissociation Constant (pKa)

17.11

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.43

SC01-0317 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GABA Library (7115 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with SC01-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC01-0317?
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What is the minimum amount of SC01-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC01-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC01-0317
  • 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 SC01-0317 available by request