SB17-0902 Screening compound: (4aS,8aR)-6-(cyclobutylcarbonyl)-1-(2-methoxyethyl)-4a-(1-pyrrolidinylcarbonyl)octahydro[1,6]naphthyridin-2(1H)-one

SB17-0902 Screening compound: (4aS,8aR)-6-(cyclobutylcarbonyl)-1-(2-methoxyethyl)-4a-(1-pyrrolidinylcarbonyl)octahydro[1,6]naphthyridin-2(1H)-one
SB17-0902 Screening compound: (4aS,8aR)-6-(cyclobutylcarbonyl)-1-(2-methoxyethyl)-4a-(1-pyrrolidinylcarbonyl)octahydro[1,6]naphthyridin-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB17-0902
(4aS,8aR)-6-(cyclobutylcarbonyl)-1-(2-methoxyethyl)-4a-(1-pyrrolidinylcarbonyl)octahydro[1,6]naphthyridin-2(1H)-one

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

SB17-0902

Molecular Formula

C21H33N3O4 (C21 H33 N3 O4)

Compound Name

(4aS,8aR)-6-(cyclobutylcarbonyl)-1-(2-methoxyethyl)-4a-(1-pyrrolidinylcarbonyl)octahydro[1,6]naphthyridin-2(1H)-one

IUPAC name

(4aS8aR)-6-cyclobutanecarbonyl-1-(2-methoxyethyl)-4a-(pyrrolidine-1-carbonyl)-decahydro-16-naphthyridin-2-one

SMILES

COCCN([C@H](CCN(C1)C(C2CCC2)=O)[C@@]1(CC1)C(N2CCCC2)=O)C1=O

InChI

InChI=1S/C21H33N3O4/c1-28-14-13-24-17-8-12-23(19(26)16-5-4-6-16)15-21(17,9-7-18(24)25)20(27)22-10-2-3-11-22/h16-17H,2-15H2,1H3/t17-,21+/m1/s1

InChI Key

QPFOMJOBUVXKCW-UTKZUKDTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.603

Distribution Coefficient, logD

0.603

Water Solubility, LogSw

-0.32

Polar Surface Area

58.684

Acid Dissociation Constant (pKa)

22.50

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

85.71

SB17-0902 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 SB17-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB17-0902?
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What is the minimum amount of SB17-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB17-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB17-0902
  • 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 SB17-0902 available by request