D048-0216 Screening compound: 1-[(E)-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino]-3-methylthiourea

D048-0216 Screening compound: 1-[(E)-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino]-3-methylthiourea
D048-0216 Screening compound: 1-[(E)-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino]-3-methylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0216
1-[(E)-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino]-3-methylthiourea

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

D048-0216

Molecular Formula

C14H17N5S (C14 H17 N5 S)

Compound Name

1-[(E)-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino]-3-methylthiourea

IUPAC name

1-[(E)-[(35-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino]-3-methylthiourea

SMILES

Cc1c(/C=N/NC(NC)=S)c(C)nn1-c1ccccc1

InChI

InChI=1S/C14H17N5S/c1-10-13(9-16-17-14(20)15-3)11(2)19(18-10)12-7-5-4-6-8-12/h4-9H,1-3H3,(H2,15,17,20)

InChI Key

JVKRBUUXYMVBCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05046617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.411

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-2.29

Polar Surface Area

47.448

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with D048-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0216?
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What is the minimum amount of D048-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0216
  • 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 D048-0216 available by request