SD31-0202 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}acetamide

SD31-0202 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}acetamide
SD31-0202 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD31-0202
2-(3,5-dimethyl-4-isoxazolyl)-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}acetamide

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

SD31-0202

Molecular Formula

C20H27N5O5 (C20 H27 N5 O5)

Compound Name

2-(3,5-dimethyl-4-isoxazolyl)-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}acetamide

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-N-{2-[3-(morpholine-4-carbonyl)-1H4H6H7H-pyrano[43-c]pyrazol-1-yl]ethyl}acetamide

SMILES

Cc1noc(C)c1CC(NCCn1nc(C(N2CCOCC2)=O)c2c1CCOC2)=O

InChI

InChI=1S/C20H27N5O5/c1-13-15(14(2)30-23-13)11-18(26)21-4-5-25-17-3-8-29-12-16(17)19(22-25)20(27)24-6-9-28-10-7-24/h3-12H2,1-2H3,(H,21,26)

InChI Key

SMJPIQOKPUTKAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32261218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.021

Distribution Coefficient, logD

-1.021

Water Solubility, LogSw

-0.25

Polar Surface Area

93.912

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

SD31-0202 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 SD31-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD31-0202?
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What is the minimum amount of SD31-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD31-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD31-0202
  • 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 SD31-0202 available by request