C657-0165 Screening compound: 1-(4-fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea

C657-0165 Screening compound: 1-(4-fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
C657-0165 Screening compound: 1-(4-fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C657-0165
1-(4-fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]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

C657-0165

Molecular Formula

C19H20FN3OS (C19 H20 FN3 OS)

Compound Name

1-(4-fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea

IUPAC name

1-(4-fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea

SMILES

Cc1c(CCNC(Nc(cc2)ccc2F)=S)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C19H20FN3OS/c1-12-16(17-11-15(24-2)7-8-18(17)22-12)9-10-21-19(25)23-14-5-3-13(20)4-6-14/h3-8,11,22H,9-10H2,1-2H3,(H2,21,23,25)

InChI Key

HNIWIOUSZNVLFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.31

Polar Surface Area

37.694

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C657-0165 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C657-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C657-0165?
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What is the minimum amount of C657-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C657-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C657-0165
  • 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 C657-0165 available by request