SB18-0235 Screening compound: N-[(3S,5S)-1-(4-isopropoxybenzyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide

SB18-0235 Screening compound: N-[(3S,5S)-1-(4-isopropoxybenzyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-2H-pyran-4-carboxamide
SB18-0235 Screening compound: N-[(3S,5S)-1-(4-isopropoxybenzyl)-5-(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 SB18-0235
N-[(3S,5S)-1-(4-isopropoxybenzyl)-5-(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

SB18-0235

Molecular Formula

C23H33N5O3 (C23 H33 N5 O3)

Compound Name

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

IUPAC name

N-[(3S5S)-5-(3-methyl-1H-124-triazol-5-yl)-1-{[4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl]oxane-4-carboxamide

SMILES

CC(C)Oc1ccc(CN(C[C@H](C2)NC(C3CCOCC3)=O)[C@@H]2c2nc(C)n[nH]2)cc1

InChI

InChI=1S/C23H33N5O3/c1-15(2)31-20-6-4-17(5-7-20)13-28-14-19(12-21(28)22-24-16(3)26-27-22)25-23(29)18-8-10-30-11-9-18/h4-7,15,18-19,21H,8-14H2,1-3H3,(H,25,29)(H,24,26,27)/t19-,21+/m0/s1

InChI Key

XMIBOAFOEZDEEC-PZJWPPBQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.069

Distribution Coefficient, logD

2.051

Water Solubility, LogSw

-2.58

Polar Surface Area

76.378

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.87

SB18-0235 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with SB18-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0235?
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What is the minimum amount of SB18-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0235
  • 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 SB18-0235 available by request