SD31-0161 Screening compound: 3-methoxy-2-methyl-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}benzamide

SD31-0161 Screening compound: 3-methoxy-2-methyl-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}benzamide
SD31-0161 Screening compound: 3-methoxy-2-methyl-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD31-0161
3-methoxy-2-methyl-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}benzamide

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

SD31-0161

Molecular Formula

C22H28N4O5 (C22 H28 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(OC)ccc1)c1C(NCCn1nc(C(N2CCOCC2)=O)c2c1CCOC2)=O

InChI

InChI=1S/C22H28N4O5/c1-15-16(4-3-5-19(15)29-2)21(27)23-7-8-26-18-6-11-31-14-17(18)20(24-26)22(28)25-9-12-30-13-10-25/h3-5H,6-14H2,1-2H3,(H,23,27)

InChI Key

KGZSXFASSHHZQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32260968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.651

Distribution Coefficient, logD

0.651

Water Solubility, LogSw

-2.05

Polar Surface Area

79.718

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with SD31-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD31-0161?
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What is the minimum amount of SD31-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD31-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD31-0161
  • 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 SD31-0161 available by request