SB33-0298 Screening compound: N-[(3S,4R)-1-(2-furylcarbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide

SB33-0298 Screening compound: N-[(3S,4R)-1-(2-furylcarbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide
SB33-0298 Screening compound: N-[(3S,4R)-1-(2-furylcarbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-0298
N-[(3S,4R)-1-(2-furylcarbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide

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

SB33-0298

Molecular Formula

C19H19N5O3 (C19 H19 N5 O3)

Compound Name

N-[(3S,4R)-1-(2-furylcarbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide

IUPAC name

N-[(3S4R)-1-(furan-2-carbonyl)-4-(3-methyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]benzamide

SMILES

Cc1n[nH]c([C@@H](CN(C2)C(c3ccco3)=O)[C@H]2NC(c2ccccc2)=O)n1

InChI

InChI=1S/C19H19N5O3/c1-12-20-17(23-22-12)14-10-24(19(26)16-8-5-9-27-16)11-15(14)21-18(25)13-6-3-2-4-7-13/h2-9,14-15H,10-11H2,1H3,(H,21,25)(H,20,22,23)/t14-,15-/m0/s1

InChI Key

UMPXFENYIKVVGS-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

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

0.937

Distribution Coefficient, logD

0.937

Water Solubility, LogSw

-2.06

Polar Surface Area

83.432

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.32

SB33-0298 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 SB33-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-0298?
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What is the minimum amount of SB33-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-0298
  • 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 SB33-0298 available by request