C148-0562 Screening compound: 2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide

C148-0562 Screening compound: 2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide
C148-0562 Screening compound: 2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0562
2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide

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

C148-0562

Molecular Formula

C34H40FN5O3S (C34 H40 FN5 O3 S)

Compound Name

2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide

IUPAC name

2-(3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide

SMILES

CCCOc(cc1)ccc1NC(CC(C(N1c2ccc(C)cc2)=O)N(CCCN(CC2)CCN2c(cc2)ccc2F)C1=S)=O

InChI

InChI=1S/C34H40FN5O3S/c1-3-23-43-30-15-9-27(10-16-30)36-32(41)24-31-33(42)40(29-11-5-25(2)6-12-29)34(44)39(31)18-4-17-37-19-21-38(22-20-37)28-13-7-26(35)8-14-28/h5-16,31H,3-4,17-24H2,1-2H3,(H,36,41)/t31-/m1/s1

InChI Key

NHGXYUHEDHICLB-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD14722630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

617.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.196

Distribution Coefficient, logD

4.969

Water Solubility, LogSw

-4.88

Polar Surface Area

56.036

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.20

C148-0562 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C148-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0562?
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What is the minimum amount of C148-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0562
  • 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 C148-0562 available by request