D314-0170 Screening compound: N-benzyl-2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

D314-0170 Screening compound: N-benzyl-2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
D314-0170 Screening compound: N-benzyl-2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0170
N-benzyl-2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

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

D314-0170

Molecular Formula

C21H26N4OS (C21 H26 N4 OS)

Compound Name

N-benzyl-2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

N-benzyl-2-(4-butyl-35-dimethyl-1H-pyrazol-1-yl)-4-methyl-13-thiazole-5-carboxamide

SMILES

CCCCc1c(C)n(-c2nc(C)c(C(NCc3ccccc3)=O)s2)nc1C

InChI

InChI=1S/C21H26N4OS/c1-5-6-12-18-14(2)24-25(16(18)4)21-23-15(3)19(27-21)20(26)22-13-17-10-8-7-9-11-17/h7-11H,5-6,12-13H2,1-4H3,(H,22,26)

InChI Key

MSYGQJMPYSSGNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-4.55

Polar Surface Area

49.467

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with D314-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0170?
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What is the minimum amount of D314-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0170
  • 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 D314-0170 available by request