Y031-7510 Screening compound: N1,N1-diethyl-N4-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide

Y031-7510 Screening compound: N1,N1-diethyl-N4-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
Y031-7510 Screening compound: N1,N1-diethyl-N4-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7510
N1,N1-diethyl-N4-(6-methyl-1,3-benzothiazol-2-yl)piperidine-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

Y031-7510

Molecular Formula

C19H26N4O2S (C19 H26 N4 O2 S)

Compound Name

N1,N1-diethyl-N4-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide

IUPAC name

N1N1-diethyl-N4-(6-methyl-13-benzothiazol-2-yl)piperidine-14-dicarboxamide

SMILES

CCN(CC)C(N(CC1)CCC1C(Nc1nc(ccc(C)c2)c2s1)=O)=O

InChI

InChI=1S/C19H26N4O2S/c1-4-22(5-2)19(25)23-10-8-14(9-11-23)17(24)21-18-20-15-7-6-13(3)12-16(15)26-18/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,20,21,24)

InChI Key

RMPNAHFPYIVKSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15180360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-3.65

Polar Surface Area

50.829

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

Y031-7510 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y031-7510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7510?
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What is the minimum amount of Y031-7510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7510
  • 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 Y031-7510 available by request