SD31-0139 Screening compound: 4-chloro-2-methoxy-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}benzamide

SD31-0139 Screening compound: 4-chloro-2-methoxy-N~1~-{2-[3-(morpholinocarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}benzamide
SD31-0139 Screening compound: 4-chloro-2-methoxy-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 SD31-0139
4-chloro-2-methoxy-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

SD31-0139

Molecular Formula

C21H25ClN4O5 (C21 H25 ClN4 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(cc1)Cl)c1C(NCCn1nc(C(N2CCOCC2)=O)c2c1CCOC2)=O

InChI

InChI=1S/C21H25ClN4O5/c1-29-18-12-14(22)2-3-15(18)20(27)23-5-6-26-17-4-9-31-13-16(17)19(24-26)21(28)25-7-10-30-11-8-25/h2-3,12H,4-11,13H2,1H3,(H,23,27)

InChI Key

GDUFSJOMXJZORG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32260718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

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

1.233

Distribution Coefficient, logD

1.233

Water Solubility, LogSw

-2.79

Polar Surface Area

79.718

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

SD31-0139 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 SD31-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD31-0139?
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What is the minimum amount of SD31-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD31-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD31-0139
  • 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 SD31-0139 available by request