C198-0132 Screening compound: 1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethylthiourea

C198-0132 Screening compound: 1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethylthiourea
C198-0132 Screening compound: 1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0132
1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethylthiourea

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

C198-0132

Molecular Formula

C24H31N3O2S (C24 H31 N3 O2 S)

Compound Name

1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethylthiourea

IUPAC name

1-[(34-dimethoxyphenyl)methyl]-1-[2-(25-dimethyl-1H-indol-3-yl)ethyl]-3-ethylthiourea

SMILES

CCNC(N(CCc1c(C)[nH]c2c1cc(C)cc2)Cc(cc1)cc(OC)c1OC)=S

InChI

InChI=1S/C24H31N3O2S/c1-6-25-24(30)27(15-18-8-10-22(28-4)23(14-18)29-5)12-11-19-17(3)26-21-9-7-16(2)13-20(19)21/h7-10,13-14,26H,6,11-12,15H2,1-5H3,(H,25,30)

InChI Key

XPKRLBDCEBETBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.569

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-4.40

Polar Surface Area

36.813

Acid Dissociation Constant (pKa)

17.44

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C198-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0132?
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What is the minimum amount of C198-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0132
  • 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 C198-0132 available by request