SB33-1254 Screening compound: N-[(3S,4R)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(3-pyridylcarbonyl)tetrahydro-1H-pyrrol-3-yl]benzamide

SB33-1254 Screening compound: N-[(3S,4R)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(3-pyridylcarbonyl)tetrahydro-1H-pyrrol-3-yl]benzamide
SB33-1254 Screening compound: N-[(3S,4R)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(3-pyridylcarbonyl)tetrahydro-1H-pyrrol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-1254
N-[(3S,4R)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(3-pyridylcarbonyl)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

SB33-1254

Molecular Formula

C20H20N6O2 (C20 H20 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c([C@@H](CN(C2)C(c3cnccc3)=O)[C@H]2NC(c2ccccc2)=O)n1

InChI

InChI=1S/C20H20N6O2/c1-13-22-18(25-24-13)16-11-26(20(28)15-8-5-9-21-10-15)12-17(16)23-19(27)14-6-3-2-4-7-14/h2-10,16-17H,11-12H2,1H3,(H,23,27)(H,22,24,25)/t16-,17-/m1/s1

InChI Key

QWINGRJFXWNNIU-IAGOWNOFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.42

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

0.228

Distribution Coefficient, logD

0.227

Water Solubility, LogSw

-1.43

Polar Surface Area

84.372

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

SB33-1254 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 SB33-1254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-1254?
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What is the minimum amount of SB33-1254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-1254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-1254
  • 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 SB33-1254 available by request