SB18-0649 Screening compound: N-[(3S,5S)-1-[2-(3-fluorophenyl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

SB18-0649 Screening compound: N-[(3S,5S)-1-[2-(3-fluorophenyl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide
SB18-0649 Screening compound: N-[(3S,5S)-1-[2-(3-fluorophenyl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB18-0649
N-[(3S,5S)-1-[2-(3-fluorophenyl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

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

SB18-0649

Molecular Formula

C23H24FN5O3 (C23 H24 FN5 O3)

Compound Name

N-[(3S,5S)-1-[2-(3-fluorophenyl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

IUPAC name

N-[(3S5S)-1-[2-(3-fluorophenyl)acetyl]-5-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide

SMILES

COCC(N[C@@H](C[C@H]1c2nc(-c3ccccc3)n[nH]2)CN1C(Cc1cccc(F)c1)=O)=O

InChI

InChI=1S/C23H24FN5O3/c1-32-14-20(30)25-18-12-19(23-26-22(27-28-23)16-7-3-2-4-8-16)29(13-18)21(31)11-15-6-5-9-17(24)10-15/h2-10,18-19H,11-14H2,1H3,(H,25,30)(H,26,27,28)/t18-,19+/m1/s1

InChI Key

NLWJJIZQNTWGSY-MOPGFXCFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.567

Distribution Coefficient, logD

2.561

Water Solubility, LogSw

-3.00

Polar Surface Area

82.295

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.43

SB18-0649 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB18-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0649?
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What is the minimum amount of SB18-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0649
  • 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 SB18-0649 available by request