C545-0399 Screening compound: 3-[(1,2-dimethyl-1H-indol-5-yl)methyl]-1-(2,5-dimethylphenyl)thiourea

C545-0399 Screening compound: 3-[(1,2-dimethyl-1H-indol-5-yl)methyl]-1-(2,5-dimethylphenyl)thiourea
C545-0399 Screening compound: 3-[(1,2-dimethyl-1H-indol-5-yl)methyl]-1-(2,5-dimethylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C545-0399
3-[(1,2-dimethyl-1H-indol-5-yl)methyl]-1-(2,5-dimethylphenyl)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

C545-0399

Molecular Formula

C20H23N3S (C20 H23 N3 S)

Compound Name

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

IUPAC name

3-[(12-dimethyl-1H-indol-5-yl)methyl]-1-(25-dimethylphenyl)thiourea

SMILES

Cc1cc(cc(CNC(Nc2c(C)ccc(C)c2)=S)cc2)c2n1C

InChI

InChI=1S/C20H23N3S/c1-13-5-6-14(2)18(9-13)22-20(24)21-12-16-7-8-19-17(11-16)10-15(3)23(19)4/h5-11H,12H2,1-4H3,(H2,21,22,24)

InChI Key

CONQKWCDMHGGDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.021

Water Solubility, LogSw

-3.97

Polar Surface Area

22.191

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C545-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C545-0399?
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What is the minimum amount of C545-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C545-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C545-0399
  • 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 C545-0399 available by request