6252-0793 Screening compound: N-(2,5-dimethylphenyl)-N'-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea

6252-0793 Screening compound: N-(2,5-dimethylphenyl)-N'-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea
6252-0793 Screening compound: N-(2,5-dimethylphenyl)-N'-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 6252-0793
N-(2,5-dimethylphenyl)-N'-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea

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

6252-0793

Molecular Formula

C16H23N5S (C16 H23 N5 S)

Compound Name

N-(2,5-dimethylphenyl)-N'-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea

IUPAC name

1-(25-dimethylphenyl)-3-{135-triazatricyclo[3.3.1.1^{37}]decan-7-yl}thiourea

SMILES

Cc1cc(NC(NC(C2)(C3)CN4CN3CN2C4)=S)c(C)cc1

InChI

InChI=1S/C16H23N5S/c1-12-3-4-13(2)14(5-12)17-15(22)18-16-6-19-9-20(7-16)11-21(8-16)10-19/h3-5H,6-11H2,1-2H3,(H2,17,18,22)

InChI Key

TTYGFSMQABWEEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04240505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

1.840

Water Solubility, LogSw

-2.22

Polar Surface Area

31.139

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

6252-0793 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6252-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6252-0793?
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What is the minimum amount of 6252-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6252-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6252-0793
  • 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 6252-0793 available by request