SD01-0171 Screening compound: 1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (5,6,7,8-tetrahydro-2-naphthalenyl) sulfone

SD01-0171 Screening compound: 1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (5,6,7,8-tetrahydro-2-naphthalenyl) sulfone
SD01-0171 Screening compound: 1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (5,6,7,8-tetrahydro-2-naphthalenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD01-0171
1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (5,6,7,8-tetrahydro-2-naphthalenyl) sulfone

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

SD01-0171

Molecular Formula

C22H26N4O4S (C22 H26 N4 O4 S)

Compound Name

1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (5,6,7,8-tetrahydro-2-naphthalenyl) sulfone

IUPAC name

4-[1-(2-methoxyethyl)-5-(5678-tetrahydronaphthalene-2-sulfonyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-13-oxazole

SMILES

COCCn(c(CC1)c2CN1S(c1cc(CCCC3)c3cc1)(=O)=O)nc2-c1cocn1

InChI

InChI=1S/C22H26N4O4S/c1-29-11-10-26-21-8-9-25(13-19(21)22(24-26)20-14-30-15-23-20)31(27,28)18-7-6-16-4-2-3-5-17(16)12-18/h6-7,12,14-15H,2-5,8-11,13H2,1H3

InChI Key

KTOQTSCKHJSRHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32260681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.17

Polar Surface Area

71.642

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

SD01-0171 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 SD01-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SD01-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD01-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD01-0171
  • 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 SD01-0171 available by request