SB18-0579 Screening compound: N-[(3S,5S)-1-[(6-methyl-2-pyridyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

SB18-0579 Screening compound: N-[(3S,5S)-1-[(6-methyl-2-pyridyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide
SB18-0579 Screening compound: N-[(3S,5S)-1-[(6-methyl-2-pyridyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB18-0579
N-[(3S,5S)-1-[(6-methyl-2-pyridyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

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

SB18-0579

Molecular Formula

C21H22N6O2 (C21 H22 N6 O2)

Compound Name

N-[(3S,5S)-1-[(6-methyl-2-pyridyl)carbonyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

IUPAC name

N-[(3S5S)-1-(6-methylpyridine-2-carbonyl)-5-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]acetamide

SMILES

CC(N[C@@H](C[C@H]1c2nc(-c3ccccc3)n[nH]2)CN1C(c1nc(C)ccc1)=O)=O

InChI

InChI=1S/C21H22N6O2/c1-13-7-6-10-17(22-13)21(29)27-12-16(23-14(2)28)11-18(27)20-24-19(25-26-20)15-8-4-3-5-9-15/h3-10,16,18H,11-12H2,1-2H3,(H,23,28)(H,24,25,26)/t16-,18+/m1/s1

InChI Key

OIUNDDCGMGAVRX-AEFFLSMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.975

Distribution Coefficient, logD

1.969

Water Solubility, LogSw

-2.20

Polar Surface Area

82.933

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with SB18-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0579?
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What is the minimum amount of SB18-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0579
  • 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 SB18-0579 available by request