SB18-1079 Screening compound: N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(2-pyrazinylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

SB18-1079 Screening compound: N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(2-pyrazinylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide
SB18-1079 Screening compound: N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(2-pyrazinylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB18-1079
N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(2-pyrazinylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

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

SB18-1079

Molecular Formula

C18H19N7O3S (C18 H19 N7 O3 S)

Compound Name

N-[(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-(2-pyrazinylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methanesulfonamide

IUPAC name

N-[(3S5S)-5-(3-phenyl-1H-124-triazol-5-yl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide

SMILES

CS(N[C@@H](C[C@H]1c2nc(-c3ccccc3)n[nH]2)CN1C(c1nccnc1)=O)(=O)=O

InChI

InChI=1S/C18H19N7O3S/c1-29(27,28)24-13-9-15(25(11-13)18(26)14-10-19-7-8-20-14)17-21-16(22-23-17)12-5-3-2-4-6-12/h2-8,10,13,15,24H,9,11H2,1H3,(H,21,22,23)/t13-,15+/m0/s1

InChI Key

CYGGHSBTLWZEIO-DZGCQCFKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.652

Distribution Coefficient, logD

0.646

Water Solubility, LogSw

-1.92

Polar Surface Area

111.682

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with SB18-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-1079?
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What is the minimum amount of SB18-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-1079
  • 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 SB18-1079 available by request