SB33-1054 Screening compound: N-[(3S,4R)-1-[(1-methyl-1H-indol-3-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

SB33-1054 Screening compound: N-[(3S,4R)-1-[(1-methyl-1H-indol-3-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide
SB33-1054 Screening compound: N-[(3S,4R)-1-[(1-methyl-1H-indol-3-yl)methyl]-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 SB33-1054
N-[(3S,4R)-1-[(1-methyl-1H-indol-3-yl)methyl]-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

SB33-1054

Molecular Formula

C23H30N6O2 (C23 H30 N6 O2)

Compound Name

N-[(3S,4R)-1-[(1-methyl-1H-indol-3-yl)methyl]-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-[(1-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]oxane-4-carboxamide

SMILES

Cc1n[nH]c([C@@H](CN(Cc2cn(C)c3c2cccc3)C2)[C@H]2NC(C2CCOCC2)=O)n1

InChI

InChI=1S/C23H30N6O2/c1-15-24-22(27-26-15)19-13-29(12-17-11-28(2)21-6-4-3-5-18(17)21)14-20(19)25-23(30)16-7-9-31-10-8-16/h3-6,11,16,19-20H,7-10,12-14H2,1-2H3,(H,25,30)(H,24,26,27)/t19-,20-/m0/s1

InChI Key

RKQYSPLWZSLPHK-PMACEKPBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.235

Distribution Coefficient, logD

-2.901

Water Solubility, LogSw

-2.45

Polar Surface Area

72.598

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

11.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.17

SB33-1054 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB33-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-1054?
Check Price and Availability of SB33-1054, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB33-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-1054
  • 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 SB33-1054 available by request