C198-0453 Screening compound: 1-(4-fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea

C198-0453 Screening compound: 1-(4-fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
C198-0453 Screening compound: 1-(4-fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0453
1-(4-fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-[(3,4,5-trimethoxyphenyl)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

C198-0453

Molecular Formula

C29H32FN3O4S (C29 H32 FN3 O4 S)

Compound Name

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

IUPAC name

1-(4-fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-[(345-trimethoxyphenyl)methyl]thiourea

SMILES

Cc1c(CCN(Cc(cc2OC)cc(OC)c2OC)C(Nc(cc2)ccc2F)=S)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C29H32FN3O4S/c1-18-23(24-16-22(34-2)10-11-25(24)31-18)12-13-33(29(38)32-21-8-6-20(30)7-9-21)17-19-14-26(35-3)28(37-5)27(15-19)36-4/h6-11,14-16,31H,12-13,17H2,1-5H3,(H,32,38)

InChI Key

AJEVNRRPIKGKQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.717

Distribution Coefficient, logD

5.717

Water Solubility, LogSw

-5.67

Polar Surface Area

50.854

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with C198-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C198-0453?
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What is the minimum amount of C198-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0453
  • 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 C198-0453 available by request