SD01-0017 Screening compound: 4-{5-[(3-methyl-2-thienyl)methyl]-1-propyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-1,3-oxazole

SD01-0017 Screening compound: 4-{5-[(3-methyl-2-thienyl)methyl]-1-propyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-1,3-oxazole
SD01-0017 Screening compound: 4-{5-[(3-methyl-2-thienyl)methyl]-1-propyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SD01-0017
4-{5-[(3-methyl-2-thienyl)methyl]-1-propyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-1,3-oxazole

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

SD01-0017

Molecular Formula

C18H22N4OS (C18 H22 N4 OS)

Compound Name

4-{5-[(3-methyl-2-thienyl)methyl]-1-propyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-1,3-oxazole

IUPAC name

4-{5-[(3-methylthiophen-2-yl)methyl]-1-propyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}-13-oxazole

SMILES

CCCn(c1c2CN(Cc3c(C)ccs3)CC1)nc2-c1cocn1

InChI

InChI=1S/C18H22N4OS/c1-3-6-22-16-4-7-21(10-17-13(2)5-8-24-17)9-14(16)18(20-22)15-11-23-12-19-15/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3

InChI Key

OBYMLQMYZFVZRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32261175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.978

Distribution Coefficient, logD

-0.949

Water Solubility, LogSw

-2.95

Polar Surface Area

36.419

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

11.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

SD01-0017 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SD01-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD01-0017?
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What is the minimum amount of SD01-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD01-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD01-0017
  • 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 SD01-0017 available by request