C545-0349 Screening compound: 3-methyl-1-[(2-methyl-1H-indol-5-yl)methyl]thiourea

C545-0349 Screening compound: 3-methyl-1-[(2-methyl-1H-indol-5-yl)methyl]thiourea
C545-0349 Screening compound: 3-methyl-1-[(2-methyl-1H-indol-5-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C545-0349
3-methyl-1-[(2-methyl-1H-indol-5-yl)methyl]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

C545-0349

Molecular Formula

C12H15N3S (C12 H15 N3 S)

Compound Name

3-methyl-1-[(2-methyl-1H-indol-5-yl)methyl]thiourea

IUPAC name

3-methyl-1-[(2-methyl-1H-indol-5-yl)methyl]thiourea

SMILES

Cc1cc(cc(CNC(NC)=S)cc2)c2[nH]1

InChI

InChI=1S/C12H15N3S/c1-8-5-10-6-9(3-4-11(10)15-8)7-14-12(16)13-2/h3-6,15H,7H2,1-2H3,(H2,13,14,16)

InChI Key

AVSYIFBHGVDRBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.465

Distribution Coefficient, logD

1.465

Water Solubility, LogSw

-2.11

Polar Surface Area

31.283

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C545-0349 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C545-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C545-0349?
Check Price and Availability of C545-0349, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C545-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C545-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C545-0349
  • 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 C545-0349 available by request