SB17-0302 Screening compound: (8aR)-N~4a~-benzyl-6-(2-furylmethyl)-2-oxooctahydro[1,6]naphthyridine-4a(2H)-carboxamide

SB17-0302 Screening compound: (8aR)-N~4a~-benzyl-6-(2-furylmethyl)-2-oxooctahydro[1,6]naphthyridine-4a(2H)-carboxamide
SB17-0302 Screening compound: (8aR)-N~4a~-benzyl-6-(2-furylmethyl)-2-oxooctahydro[1,6]naphthyridine-4a(2H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB17-0302
(8aR)-N~4a~-benzyl-6-(2-furylmethyl)-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

SB17-0302

Molecular Formula

C21H25N3O3 (C21 H25 N3 O3)

Compound Name

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

IUPAC name

(4aS8aR)-N-benzyl-6-[(furan-2-yl)methyl]-2-oxo-decahydro-16-naphthyridine-4a-carboxamide

SMILES

O=C([C@@](CC1)(CN(Cc2ccco2)CC2)[C@@H]2NC1=O)NCc1ccccc1

InChI

InChI=1S/C21H25N3O3/c25-19-8-10-21(20(26)22-13-16-5-2-1-3-6-16)15-24(11-9-18(21)23-19)14-17-7-4-12-27-17/h1-7,12,18H,8-11,13-15H2,(H,22,26)(H,23,25)/t18-,21+/m1/s1

InChI Key

OQFZLTCSCFFXGJ-NQIIRXRSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.580

Distribution Coefficient, logD

1.296

Water Solubility, LogSw

-1.92

Polar Surface Area

61.497

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

SB17-0302 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 SB17-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB17-0302?
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What is the minimum amount of SB17-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB17-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB17-0302
  • 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 SB17-0302 available by request