C545-0364 Screening compound: 1-(3,5-dimethylphenyl)-3-[(2-methyl-1H-indol-5-yl)methyl]thiourea

C545-0364 Screening compound: 1-(3,5-dimethylphenyl)-3-[(2-methyl-1H-indol-5-yl)methyl]thiourea
C545-0364 Screening compound: 1-(3,5-dimethylphenyl)-3-[(2-methyl-1H-indol-5-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C545-0364
1-(3,5-dimethylphenyl)-3-[(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

C545-0364

Molecular Formula

C19H21N3S (C19 H21 N3 S)

Compound Name

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

IUPAC name

1-(35-dimethylphenyl)-3-[(2-methyl-1H-indol-5-yl)methyl]thiourea

SMILES

Cc1cc(cc(CNC(Nc2cc(C)cc(C)c2)=S)cc2)c2[nH]1

InChI

InChI=1S/C19H21N3S/c1-12-6-13(2)8-17(7-12)22-19(23)20-11-15-4-5-18-16(10-15)9-14(3)21-18/h4-10,21H,11H2,1-3H3,(H2,20,22,23)

InChI Key

YPISHMINBAOACW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.35

Polar Surface Area

29.539

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with C545-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C545-0364?
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What is the minimum amount of C545-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C545-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C545-0364
  • 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 C545-0364 available by request