SB33-0516 Screening compound: N~1~-[(3S,4R)-1-(3-fluoro-4-methylbenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

SB33-0516 Screening compound: N~1~-[(3S,4R)-1-(3-fluoro-4-methylbenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide
SB33-0516 Screening compound: N~1~-[(3S,4R)-1-(3-fluoro-4-methylbenzoyl)-4-(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 SB33-0516
N~1~-[(3S,4R)-1-(3-fluoro-4-methylbenzoyl)-4-(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

SB33-0516

Molecular Formula

C23H24FN5O3 (C23 H24 FN5 O3)

Compound Name

N~1~-[(3S,4R)-1-(3-fluoro-4-methylbenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

IUPAC name

N-[(3S4R)-1-(3-fluoro-4-methylbenzoyl)-4-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide

SMILES

Cc(ccc(C(N(C[C@@H]1c2nc(-c3ccccc3)n[nH]2)C[C@@H]1NC(COC)=O)=O)c1)c1F

InChI

InChI=1S/C23H24FN5O3/c1-14-8-9-16(10-18(14)24)23(31)29-11-17(19(12-29)25-20(30)13-32-2)22-26-21(27-28-22)15-6-4-3-5-7-15/h3-10,17,19H,11-13H2,1-2H3,(H,25,30)(H,26,27,28)/t17-,19-/m1/s1

InChI Key

WMJGHBHPRSIFTD-IEBWSBKVSA-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

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

2.304

Water Solubility, LogSw

-2.89

Polar Surface Area

83.451

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.43

References: we are preparing a list of scientific research reports with SB33-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-0516?
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What is the minimum amount of SB33-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-0516
  • 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 SB33-0516 available by request