SB17-0157 Screening compound: (4aS,8aR)-6-[(5-methyl-2-thienyl)carbonyl]-4a-(1-pyrrolidinylcarbonyl)octahydro[1,6]naphthyridin-2(1H)-one

SB17-0157 Screening compound: (4aS,8aR)-6-[(5-methyl-2-thienyl)carbonyl]-4a-(1-pyrrolidinylcarbonyl)octahydro[1,6]naphthyridin-2(1H)-one
SB17-0157 Screening compound: (4aS,8aR)-6-[(5-methyl-2-thienyl)carbonyl]-4a-(1-pyrrolidinylcarbonyl)octahydro[1,6]naphthyridin-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB17-0157
(4aS,8aR)-6-[(5-methyl-2-thienyl)carbonyl]-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

SB17-0157

Molecular Formula

C19H25N3O3S (C19 H25 N3 O3 S)

Compound Name

(4aS,8aR)-6-[(5-methyl-2-thienyl)carbonyl]-4a-(1-pyrrolidinylcarbonyl)octahydro[1,6]naphthyridin-2(1H)-one

IUPAC name

(4aS8aR)-6-(5-methylthiophene-2-carbonyl)-4a-(pyrrolidine-1-carbonyl)-decahydro-16-naphthyridin-2-one

SMILES

Cc1ccc(C(N(CC[C@H]2NC(CC3)=O)C[C@]23C(N2CCCC2)=O)=O)s1

InChI

InChI=1S/C19H25N3O3S/c1-13-4-5-14(26-13)17(24)22-11-7-15-19(12-22,8-6-16(23)20-15)18(25)21-9-2-3-10-21/h4-5,15H,2-3,6-12H2,1H3,(H,20,23)/t15-,19-/m0/s1

InChI Key

ZPUCDFPUMBGYIW-KXBFYZLASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.690

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-2.47

Polar Surface Area

60.283

Acid Dissociation Constant (pKa)

16.68

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.16

SB17-0157 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 SB17-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB17-0157?
Check Price and Availability of SB17-0157, 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 SB17-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB17-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB17-0157
  • 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 SB17-0157 available by request