SB18-0660 Screening compound: N~1~-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

SB18-0660 Screening compound: N~1~-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide
SB18-0660 Screening compound: N~1~-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB18-0660
N~1~-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

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

SB18-0660

Molecular Formula

C24H33N5O3 (C24 H33 N5 O3)

Compound Name

N~1~-[(3S,5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

IUPAC name

N-[(3S5S)-1-(3-cyclohexylpropanoyl)-5-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide

SMILES

COCC(N[C@@H](C[C@H]1c2nc(-c3ccccc3)n[nH]2)CN1C(CCC1CCCCC1)=O)=O

InChI

InChI=1S/C24H33N5O3/c1-32-16-21(30)25-19-14-20(24-26-23(27-28-24)18-10-6-3-7-11-18)29(15-19)22(31)13-12-17-8-4-2-5-9-17/h3,6-7,10-11,17,19-20H,2,4-5,8-9,12-16H2,1H3,(H,25,30)(H,26,27,28)/t19-,20+/m1/s1

InChI Key

ZJVOUTDNIKUXQZ-UXHICEINSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

3.499

Water Solubility, LogSw

-3.78

Polar Surface Area

82.487

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.33

SB18-0660 in Drug Discovery

Included in Screening Libraries

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

Natural-Product-Based Library (3730 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with SB18-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0660?
Check Price and Availability of SB18-0660, 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 SB18-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0660
  • 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 SB18-0660 available by request