SB18-0618 Screening compound: N-[(3S,5S)-1-isobutyryl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

SB18-0618 Screening compound: N-[(3S,5S)-1-isobutyryl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide
SB18-0618 Screening compound: N-[(3S,5S)-1-isobutyryl-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 SB18-0618
N-[(3S,5S)-1-isobutyryl-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

SB18-0618

Molecular Formula

C19H25N5O3 (C19 H25 N5 O3)

Compound Name

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

IUPAC name

2-methoxy-N-[(3S5S)-1-(2-methylpropanoyl)-5-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]acetamide

SMILES

CC(C)C(N(C[C@H](C1)NC(COC)=O)[C@@H]1c1nc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C19H25N5O3/c1-12(2)19(26)24-10-14(20-16(25)11-27-3)9-15(24)18-21-17(22-23-18)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H,20,25)(H,21,22,23)/t14-,15+/m1/s1

InChI Key

DVFFSFDNQWBESR-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

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

1.715

Distribution Coefficient, logD

1.709

Water Solubility, LogSw

-2.09

Polar Surface Area

83.093

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.37

SB18-0618 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 SB18-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB18-0618?
Check Price and Availability of SB18-0618, 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 SB18-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB18-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB18-0618
  • 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 SB18-0618 available by request