Y031-7598 Screening compound: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide

Y031-7598 Screening compound: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide
Y031-7598 Screening compound: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7598
N4-(6-methoxy-1,3-benzothiazol-2-yl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide

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

Y031-7598

Molecular Formula

C17H22N4O3S (C17 H22 N4 O3 S)

Compound Name

N4-(6-methoxy-1,3-benzothiazol-2-yl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide

IUPAC name

N4-(6-methoxy-13-benzothiazol-2-yl)-N1N1-dimethylpiperidine-14-dicarboxamide

SMILES

CN(C)C(N(CC1)CCC1C(Nc1nc(ccc(OC)c2)c2s1)=O)=O

InChI

InChI=1S/C17H22N4O3S/c1-20(2)17(23)21-8-6-11(7-9-21)15(22)19-16-18-13-5-4-12(24-3)10-14(13)25-16/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,22)

InChI Key

ZRXZMECLNFRKRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15180627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-3.06

Polar Surface Area

58.441

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

Y031-7598 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-7598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7598?
Check Price and Availability of Y031-7598, 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 Y031-7598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7598
  • 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 Y031-7598 available by request