C198-0472 Screening compound: 1-(4-ethoxyphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea

C198-0472 Screening compound: 1-(4-ethoxyphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea
C198-0472 Screening compound: 1-(4-ethoxyphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C198-0472
1-(4-ethoxyphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)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

C198-0472

Molecular Formula

C27H30N4O2S (C27 H30 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(N(CCc1c(C)[nH]c(cc2)c1cc2OC)Cc1ccncc1)=S

InChI

InChI=1S/C27H30N4O2S/c1-4-33-22-7-5-21(6-8-22)30-27(34)31(18-20-11-14-28-15-12-20)16-13-24-19(2)29-26-10-9-23(32-3)17-25(24)26/h5-12,14-15,17,29H,4,13,16,18H2,1-3H3,(H,30,34)

InChI Key

IYWNJOVXNIQXAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.039

Distribution Coefficient, logD

5.020

Water Solubility, LogSw

-4.57

Polar Surface Area

44.428

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C198-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C198-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C198-0472
  • 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 C198-0472 available by request