SB99-0539 Screening compound: 3-[1-methyl-5-(1,3-oxazol-4-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-(1-pyrrolidinyl)-1-propanone

SB99-0539 Screening compound: 3-[1-methyl-5-(1,3-oxazol-4-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-(1-pyrrolidinyl)-1-propanone
SB99-0539 Screening compound: 3-[1-methyl-5-(1,3-oxazol-4-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-(1-pyrrolidinyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB99-0539
3-[1-methyl-5-(1,3-oxazol-4-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-(1-pyrrolidinyl)-1-propanone

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

SB99-0539

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

3-[1-methyl-5-(1,3-oxazol-4-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-(1-pyrrolidinyl)-1-propanone

IUPAC name

3-[1-methyl-5-(13-oxazole-4-carbonyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-1-(pyrrolidin-1-yl)propan-1-one

SMILES

Cn1nc(CCC(N2CCCC2)=O)c(C2)c1CCN2C(c1cocn1)=O

InChI

InChI=1S/C18H23N5O3/c1-21-16-6-9-23(18(25)15-11-26-12-19-15)10-13(16)14(20-21)4-5-17(24)22-7-2-3-8-22/h11-12H,2-10H2,1H3

InChI Key

ZUHBMPGBANAXEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32252274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.074

Distribution Coefficient, logD

-0.074

Water Solubility, LogSw

-0.46

Polar Surface Area

65.878

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

SB99-0539 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 SB99-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB99-0539?
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What is the minimum amount of SB99-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB99-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB99-0539
  • 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 SB99-0539 available by request