S757-0038 Screening compound: 1-{4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidine-1-carbonyl}isoquinoline

S757-0038 Screening compound: 1-{4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidine-1-carbonyl}isoquinoline
S757-0038 Screening compound: 1-{4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidine-1-carbonyl}isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound S757-0038
1-{4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidine-1-carbonyl}isoquinoline

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

S757-0038

Molecular Formula

C24H26N4O2 (C24 H26 N4 O2)

Compound Name

1-{4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidine-1-carbonyl}isoquinoline

IUPAC name

1-{4-[(2S3S)-3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidine-1-carbonyl}isoquinoline

SMILES

CO[C@H](C1)[C@@H](c2cnccc2)N1C(CC1)CCN1C(c1nccc2ccccc12)=O

InChI

InChI=1S/C24H26N4O2/c1-30-21-16-28(23(21)18-6-4-11-25-15-18)19-9-13-27(14-10-19)24(29)22-20-7-3-2-5-17(20)8-12-26-22/h2-8,11-12,15,19,21,23H,9-10,13-14,16H2,1H3/t21-,23+/m0/s1

InChI Key

XWBFRLWXIKTQRB-JTHBVZDNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.333

Distribution Coefficient, logD

1.857

Water Solubility, LogSw

-2.39

Polar Surface Area

45.556

Acid Dissociation Constant (pKa)

24.39

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

S757-0038 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S757-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S757-0038?
Check Price and Availability of S757-0038, 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 S757-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S757-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S757-0038
  • 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 S757-0038 available by request