SD31-0145 Screening compound: 2-(4-fluorophenoxy)-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}acetamide

SD31-0145 Screening compound: 2-(4-fluorophenoxy)-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}acetamide
SD31-0145 Screening compound: 2-(4-fluorophenoxy)-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 SD31-0145
2-(4-fluorophenoxy)-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

SD31-0145

Molecular Formula

C21H25FN4O5 (C21 H25 FN4 O5)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc(cc1)ccc1F)NCCn1nc(C(N2CCOCC2)=O)c2c1CCOC2

InChI

InChI=1S/C21H25FN4O5/c22-15-1-3-16(4-2-15)31-14-19(27)23-6-7-26-18-5-10-30-13-17(18)20(24-26)21(28)25-8-11-29-12-9-25/h1-4H,5-14H2,(H,23,27)

InChI Key

JWHIDTYIRBVWLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32260843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.240

Distribution Coefficient, logD

-0.240

Water Solubility, LogSw

-1.61

Polar Surface Area

79.373

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

SD31-0145 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD31-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD31-0145?
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What is the minimum amount of SD31-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD31-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD31-0145
  • 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 SD31-0145 available by request