C657-0100 Screening compound: 1-(3-bromophenyl)-3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]thiourea

C657-0100 Screening compound: 1-(3-bromophenyl)-3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]thiourea
C657-0100 Screening compound: 1-(3-bromophenyl)-3-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C657-0100
1-(3-bromophenyl)-3-[2-(5-chloro-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

C657-0100

Molecular Formula

C18H17BrClN3S (C18 H17 BrClN3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCNC(Nc2cccc(Br)c2)=S)c(cc(cc2)Cl)c2[nH]1

InChI

InChI=1S/C18H17BrClN3S/c1-11-15(16-10-13(20)5-6-17(16)22-11)7-8-21-18(24)23-14-4-2-3-12(19)9-14/h2-6,9-10,22H,7-8H2,1H3,(H2,21,23,24)

InChI Key

ADYGKPFHKICILS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.78

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.440

Distribution Coefficient, logD

5.440

Water Solubility, LogSw

-6.04

Polar Surface Area

30.151

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C657-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C657-0100?
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What is the minimum amount of C657-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C657-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C657-0100
  • 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 C657-0100 available by request