C148-0629 Screening compound: ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

C148-0629 Screening compound: ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
C148-0629 Screening compound: ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0629
ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

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

C148-0629

Molecular Formula

C33H36FN5O4S (C33 H36 FN5 O4 S)

Compound Name

ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[1-(4-fluorophenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1c(cc2)ccc2F)=O)N(CCCN(CC2)CCN2c2ccccc2)C1=S)=O)=O

InChI

InChI=1S/C33H36FN5O4S/c1-2-43-32(42)24-9-13-26(14-10-24)35-30(40)23-29-31(41)39(28-15-11-25(34)12-16-28)33(44)38(29)18-6-17-36-19-21-37(22-20-36)27-7-4-3-5-8-27/h3-5,7-16,29H,2,6,17-23H2,1H3,(H,35,40)/t29-/m1/s1

InChI Key

MVXAFMNEQLRXGN-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD14722690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

617.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.293

Distribution Coefficient, logD

4.066

Water Solubility, LogSw

-3.94

Polar Surface Area

69.372

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C148-0629 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 C148-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0629?
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What is the minimum amount of C148-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0629
  • 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 C148-0629 available by request