D314-0148 Screening compound: 4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine

D314-0148 Screening compound: 4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine
D314-0148 Screening compound: 4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0148
4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine

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

D314-0148

Molecular Formula

C18H26N4O2S (C18 H26 N4 O2 S)

Compound Name

4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine

IUPAC name

4-[2-(4-butyl-35-dimethyl-1H-pyrazol-1-yl)-4-methyl-13-thiazole-5-carbonyl]morpholine

SMILES

CCCCc1c(C)n(-c2nc(C)c(C(N3CCOCC3)=O)s2)nc1C

InChI

InChI=1S/C18H26N4O2S/c1-5-6-7-15-12(2)20-22(14(15)4)18-19-13(3)16(25-18)17(23)21-8-10-24-11-9-21/h5-11H2,1-4H3

InChI Key

OPTGAPIQGIONLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.200

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.08

Polar Surface Area

49.611

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

D314-0148 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 D314-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0148?
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What is the minimum amount of D314-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0148
  • 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 D314-0148 available by request