SB33-0051 Screening compound: N-[(3S,4R)-1-[2-(3-methylphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

SB33-0051 Screening compound: N-[(3S,4R)-1-[2-(3-methylphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide
SB33-0051 Screening compound: N-[(3S,4R)-1-[2-(3-methylphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-0051
N-[(3S,4R)-1-[2-(3-methylphenyl)acetyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

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

SB33-0051

Molecular Formula

C22H29N5O3 (C22 H29 N5 O3)

Compound Name

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

IUPAC name

N-[(3S4R)-4-(3-methyl-1H-124-triazol-5-yl)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxane-4-carboxamide

SMILES

Cc1n[nH]c([C@@H](CN(C2)C(Cc3cc(C)ccc3)=O)[C@H]2NC(C2CCOCC2)=O)n1

InChI

InChI=1S/C22H29N5O3/c1-14-4-3-5-16(10-14)11-20(28)27-12-18(21-23-15(2)25-26-21)19(13-27)24-22(29)17-6-8-30-9-7-17/h3-5,10,17-19H,6-9,11-13H2,1-2H3,(H,24,29)(H,23,25,26)/t18-,19-/m0/s1

InChI Key

BPHVAKQCAGDEPM-OALUTQOASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.441

Distribution Coefficient, logD

1.441

Water Solubility, LogSw

-2.32

Polar Surface Area

82.427

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.54

SB33-0051 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with SB33-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-0051?
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What is the minimum amount of SB33-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-0051
  • 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 SB33-0051 available by request