SB33-0096 Screening compound: N-[(3S,4R)-1-[3-(2-methoxyphenyl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

SB33-0096 Screening compound: N-[(3S,4R)-1-[3-(2-methoxyphenyl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide
SB33-0096 Screening compound: N-[(3S,4R)-1-[3-(2-methoxyphenyl)propanoyl]-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 SB33-0096
N-[(3S,4R)-1-[3-(2-methoxyphenyl)propanoyl]-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

SB33-0096

Molecular Formula

C23H31N5O4 (C23 H31 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c([C@@H](CN(C2)C(CCc(cccc3)c3OC)=O)[C@H]2NC(C2CCOCC2)=O)n1

InChI

InChI=1S/C23H31N5O4/c1-15-24-22(27-26-15)18-13-28(14-19(18)25-23(30)17-9-11-32-12-10-17)21(29)8-7-16-5-3-4-6-20(16)31-2/h3-6,17-19H,7-14H2,1-2H3,(H,25,30)(H,24,26,27)/t18-,19-/m0/s1

InChI Key

NALJKWKFYYKNMO-OALUTQOASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.046

Distribution Coefficient, logD

1.045

Water Solubility, LogSw

-2.36

Polar Surface Area

90.058

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.52

SB33-0096 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 SB33-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-0096?
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What is the minimum amount of SB33-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-0096
  • 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 SB33-0096 available by request