SB56-1068 Screening compound: 5-[(3S,4R)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-(3-pyridyl)tetrahydro-1H-pyrrol-3-yl]-3-(4-pyridyl)-1,2,4-oxadiazole

SB56-1068 Screening compound: 5-[(3S,4R)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-(3-pyridyl)tetrahydro-1H-pyrrol-3-yl]-3-(4-pyridyl)-1,2,4-oxadiazole
SB56-1068 Screening compound: 5-[(3S,4R)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-(3-pyridyl)tetrahydro-1H-pyrrol-3-yl]-3-(4-pyridyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB56-1068
5-[(3S,4R)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-(3-pyridyl)tetrahydro-1H-pyrrol-3-yl]-3-(4-pyridyl)-1,2,4-oxadiazole

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

SB56-1068

Molecular Formula

C23H25N7O (C23 H25 N7 O)

Compound Name

5-[(3S,4R)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-(3-pyridyl)tetrahydro-1H-pyrrol-3-yl]-3-(4-pyridyl)-1,2,4-oxadiazole

IUPAC name

4-{5-[(3S4R)-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-4-(pyridin-3-yl)pyrrolidin-3-yl]-124-oxadiazol-3-yl}pyridine

SMILES

CC(C)n1ncc(CN(C[C@@H]2c3nc(-c4ccncc4)no3)C[C@@H]2c2cnccc2)c1

InChI

InChI=1S/C23H25N7O/c1-16(2)30-13-17(10-26-30)12-29-14-20(19-4-3-7-25-11-19)21(15-29)23-27-22(28-31-23)18-5-8-24-9-6-18/h3-11,13,16,20-21H,12,14-15H2,1-2H3/t20-,21+/m1/s1

InChI Key

FQUJIOFBMKFPRO-RTWAWAEBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.5

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

2.619

Distribution Coefficient, logD

-3.852

Water Solubility, LogSw

-2.63

Polar Surface Area

69.245

Acid Dissociation Constant (pKa)

19.44

Base Dissociation Constant (pKb)

13.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.78

SB56-1068 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with SB56-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB56-1068?
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What is the minimum amount of SB56-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB56-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB56-1068
  • 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 SB56-1068 available by request