C657-0103 Screening compound: 3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]thiourea

C657-0103 Screening compound: 3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]thiourea
C657-0103 Screening compound: 3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C657-0103
3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]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

C657-0103

Molecular Formula

C19H17ClF3N3S (C19 H17 ClF3 N3 S)

Compound Name

3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]thiourea

IUPAC name

3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]thiourea

SMILES

Cc1c(CCNC(Nc2ccc(C(F)(F)F)cc2)=S)c(cc(cc2)Cl)c2[nH]1

InChI

InChI=1S/C19H17ClF3N3S/c1-11-15(16-10-13(20)4-7-17(16)25-11)8-9-24-18(27)26-14-5-2-12(3-6-14)19(21,22)23/h2-7,10,25H,8-9H2,1H3,(H2,24,26,27)

InChI Key

MAOYXLWMZITBGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.88

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.505

Distribution Coefficient, logD

5.505

Water Solubility, LogSw

-6.17

Polar Surface Area

30.151

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with C657-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C657-0103?
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What is the minimum amount of C657-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C657-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C657-0103
  • 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 C657-0103 available by request