Y031-7539 Screening compound: N4-(1,3-benzothiazol-2-yl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide

Y031-7539 Screening compound: N4-(1,3-benzothiazol-2-yl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide
Y031-7539 Screening compound: N4-(1,3-benzothiazol-2-yl)-N1,N1-dimethylpiperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7539
N4-(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

Y031-7539

Molecular Formula

C16H20N4O2S (C16 H20 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)C(N(CC1)CCC1C(Nc1nc(cccc2)c2s1)=O)=O

InChI

InChI=1S/C16H20N4O2S/c1-19(2)16(22)20-9-7-11(8-10-20)14(21)18-15-17-12-5-3-4-6-13(12)23-15/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)

InChI Key

JEPZCZOFYWMEIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15180481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.465

Water Solubility, LogSw

-2.73

Polar Surface Area

50.897

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

Y031-7539 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-7539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7539?
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What is the minimum amount of Y031-7539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7539
  • 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 Y031-7539 available by request