SD01-0268 Screening compound: 1-(cyclopropylmethyl)-3-(1,3-oxazol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (1,3,5-trimethyl-1H-pyrazol-4-yl) sulfone

SD01-0268 Screening compound: 1-(cyclopropylmethyl)-3-(1,3-oxazol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (1,3,5-trimethyl-1H-pyrazol-4-yl) sulfone
SD01-0268 Screening compound: 1-(cyclopropylmethyl)-3-(1,3-oxazol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (1,3,5-trimethyl-1H-pyrazol-4-yl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD01-0268
1-(cyclopropylmethyl)-3-(1,3-oxazol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (1,3,5-trimethyl-1H-pyrazol-4-yl) 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

SD01-0268

Molecular Formula

C19H24N6O3S (C19 H24 N6 O3 S)

Compound Name

1-(cyclopropylmethyl)-3-(1,3-oxazol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl (1,3,5-trimethyl-1H-pyrazol-4-yl) sulfone

IUPAC name

4-[1-(cyclopropylmethyl)-5-[(135-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-13-oxazole

SMILES

Cc(n(C)nc1C)c1S(N(CC1)Cc2c1n(CC1CC1)nc2-c1cocn1)(=O)=O

InChI

InChI=1S/C19H24N6O3S/c1-12-19(13(2)23(3)21-12)29(26,27)24-7-6-17-15(9-24)18(16-10-28-11-20-16)22-25(17)8-14-4-5-14/h10-11,14H,4-9H2,1-3H3

InChI Key

CGAAWGNRECYHJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32259721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.579

Distribution Coefficient, logD

0.579

Water Solubility, LogSw

-1.47

Polar Surface Area

78.492

Acid Dissociation Constant (pKa)

22.37

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

SD01-0268 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 SD01-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SD01-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD01-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD01-0268
  • 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 SD01-0268 available by request