Y031-7611 Screening compound: N4-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide

Y031-7611 Screening compound: N4-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide
Y031-7611 Screening compound: N4-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7611
N4-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-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

Y031-7611

Molecular Formula

C18H26N4O3S (C18 H26 N4 O3 S)

Compound Name

N4-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide

IUPAC name

N4-(55-dimethyl-7-oxo-4567-tetrahydro-13-benzothiazol-2-yl)-N1N1-dimethylpiperidine-14-dicarboxamide

SMILES

CC(C)(Cc1c2sc(NC(C(CC3)CCN3C(N(C)C)=O)=O)n1)CC2=O

InChI

InChI=1S/C18H26N4O3S/c1-18(2)9-12-14(13(23)10-18)26-16(19-12)20-15(24)11-5-7-22(8-6-11)17(25)21(3)4/h11H,5-10H2,1-4H3,(H,19,20,24)

InChI Key

OTBTTWMURGGFPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15180668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.016

Distribution Coefficient, logD

1.440

Water Solubility, LogSw

-2.64

Polar Surface Area

65.852

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

Y031-7611 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-7611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7611?
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What is the minimum amount of Y031-7611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7611
  • 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 Y031-7611 available by request