SB17-0321 Screening compound: (8aR)-N~4a~-benzyl-6-(2-furylcarbonyl)-2-oxooctahydro[1,6]naphthyridine-4a(2H)-carboxamide

SB17-0321 Screening compound: (8aR)-N~4a~-benzyl-6-(2-furylcarbonyl)-2-oxooctahydro[1,6]naphthyridine-4a(2H)-carboxamide
SB17-0321 Screening compound: (8aR)-N~4a~-benzyl-6-(2-furylcarbonyl)-2-oxooctahydro[1,6]naphthyridine-4a(2H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB17-0321
(8aR)-N~4a~-benzyl-6-(2-furylcarbonyl)-2-oxooctahydro[1,6]naphthyridine-4a(2H)-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

SB17-0321

Molecular Formula

C21H23N3O4 (C21 H23 N3 O4)

Compound Name

(8aR)-N~4a~-benzyl-6-(2-furylcarbonyl)-2-oxooctahydro[1,6]naphthyridine-4a(2H)-carboxamide

IUPAC name

(4aS8aR)-N-benzyl-6-(furan-2-carbonyl)-2-oxo-decahydro-16-naphthyridine-4a-carboxamide

SMILES

O=C([C@@](CC1)(CN(CC2)C(c3ccco3)=O)[C@@H]2NC1=O)NCc1ccccc1

InChI

InChI=1S/C21H23N3O4/c25-18-8-10-21(20(27)22-13-15-5-2-1-3-6-15)14-24(11-9-17(21)23-18)19(26)16-7-4-12-28-16/h1-7,12,17H,8-11,13-14H2,(H,22,27)(H,23,25)/t17-,21+/m1/s1

InChI Key

PXFGYJOKIBHTJD-UTKZUKDTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.036

Distribution Coefficient, logD

1.036

Water Solubility, LogSw

-1.84

Polar Surface Area

75.243

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

SB17-0321 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 SB17-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB17-0321?
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What is the minimum amount of SB17-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB17-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB17-0321
  • 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 SB17-0321 available by request