SC01-0138 Screening compound: N-{2-[5-(1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-2-(4-methoxyphenyl)-N-methylacetamide

SC01-0138 Screening compound: N-{2-[5-(1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-2-(4-methoxyphenyl)-N-methylacetamide
SC01-0138 Screening compound: N-{2-[5-(1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-2-(4-methoxyphenyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC01-0138
N-{2-[5-(1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-2-(4-methoxyphenyl)-N-methylacetamide

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

SC01-0138

Molecular Formula

C23H29N5O4 (C23 H29 N5 O4)

Compound Name

N-{2-[5-(1-isopropyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-2-(4-methoxyphenyl)-N-methylacetamide

IUPAC name

2-(4-methoxyphenyl)-N-methyl-N-(2-{5-[1-(propan-2-yl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]-124-oxadiazol-3-yl}ethyl)acetamide

SMILES

CC(C)n(c1c2COCC1)nc2-c1nc(CCN(C)C(Cc(cc2)ccc2OC)=O)no1

InChI

InChI=1S/C23H29N5O4/c1-15(2)28-19-10-12-31-14-18(19)22(25-28)23-24-20(26-32-23)9-11-27(3)21(29)13-16-5-7-17(30-4)8-6-16/h5-8,15H,9-14H2,1-4H3

InChI Key

JMOPMYLZCGQYOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32251676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.185

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-2.32

Polar Surface Area

79.579

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

SC01-0138 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 SC01-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC01-0138?
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What is the minimum amount of SC01-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC01-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC01-0138
  • 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 SC01-0138 available by request