SC98-0007 Screening compound: 2-(3-{[1-methyl-3-(5-methyl-1,3-oxazol-2-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione

SC98-0007 Screening compound: 2-(3-{[1-methyl-3-(5-methyl-1,3-oxazol-2-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione
SC98-0007 Screening compound: 2-(3-{[1-methyl-3-(5-methyl-1,3-oxazol-2-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SC98-0007
2-(3-{[1-methyl-3-(5-methyl-1,3-oxazol-2-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione

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

SC98-0007

Molecular Formula

C22H25N5O4S (C22 H25 N5 O4 S)

Compound Name

2-(3-{[1-methyl-3-(5-methyl-1,3-oxazol-2-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione

IUPAC name

2-{3-[1-methyl-3-(5-methyl-13-oxazol-2-yl)-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carbonyl]phenyl}-1lambda62-thiazinane-11-dione

SMILES

Cc1cnc(-c2nn(C)c(CC3)c2CN3C(c2cccc(N(CCCC3)S3(=O)=O)c2)=O)o1

InChI

InChI=1S/C22H25N5O4S/c1-15-13-23-21(31-15)20-18-14-26(10-8-19(18)25(2)24-20)22(28)16-6-5-7-17(12-16)27-9-3-4-11-32(27,29)30/h5-7,12-13H,3-4,8-11,14H2,1-2H3

InChI Key

MPUKRYPRFHRFAJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.868

Distribution Coefficient, logD

0.868

Water Solubility, LogSw

-2.05

Polar Surface Area

80.381

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with SC98-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC98-0007?
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What is the minimum amount of SC98-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC98-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC98-0007
  • 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 SC98-0007 available by request