SB33-1336 Screening compound: N-[(3S,4R)-1-[2-(2-methylphenyl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

SB33-1336 Screening compound: N-[(3S,4R)-1-[2-(2-methylphenyl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide
SB33-1336 Screening compound: N-[(3S,4R)-1-[2-(2-methylphenyl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-1336
N-[(3S,4R)-1-[2-(2-methylphenyl)acetyl]-4-(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

SB33-1336

Molecular Formula

C23H25N5O2 (C23 H25 N5 O2)

Compound Name

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

IUPAC name

N-[(3S4R)-1-[2-(2-methylphenyl)acetyl]-4-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]acetamide

SMILES

CC(N[C@@H](CN(C1)C(Cc2c(C)cccc2)=O)[C@H]1c1nc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C23H25N5O2/c1-15-8-6-7-11-18(15)12-21(30)28-13-19(20(14-28)24-16(2)29)23-25-22(26-27-23)17-9-4-3-5-10-17/h3-11,19-20H,12-14H2,1-2H3,(H,24,29)(H,25,26,27)/t19-,20-/m1/s1

InChI Key

IYZXZOQRZIIRKA-WOJBJXKFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.957

Water Solubility, LogSw

-3.20

Polar Surface Area

74.613

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.43

References: we are preparing a list of scientific research reports with SB33-1336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-1336?
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What is the minimum amount of SB33-1336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-1336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-1336
  • 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 SB33-1336 available by request