SB18-0103 Screening compound: 3-methyl-N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]butanamide

SB18-0103 Screening compound: 3-methyl-N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]butanamide
SB18-0103 Screening compound: 3-methyl-N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB18-0103
3-methyl-N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]butanamide

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

SB18-0103

Molecular Formula

C18H29N5O3 (C18 H29 N5 O3)

Compound Name

3-methyl-N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]butanamide

IUPAC name

3-methyl-N-[(3S5S)-5-(3-methyl-1H-124-triazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]butanamide

SMILES

CC(C)CC(N[C@@H](C[C@H]1c2nc(C)n[nH]2)CN1C(C1CCOCC1)=O)=O

InChI

InChI=1S/C18H29N5O3/c1-11(2)8-16(24)20-14-9-15(17-19-12(3)21-22-17)23(10-14)18(25)13-4-6-26-7-5-13/h11,13-15H,4-10H2,1-3H3,(H,20,24)(H,19,21,22)/t14-,15+/m1/s1

InChI Key

QLGSZLMJIZMZHP-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.217

Distribution Coefficient, logD

1.216

Water Solubility, LogSw

-1.60

Polar Surface Area

82.383

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

77.78

SB18-0103 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB18-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0103?
Check Price and Availability of SB18-0103, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB18-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0103
  • 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 SB18-0103 available by request