C148-0651 Screening compound: N-(4-methoxyphenyl)-2-[1-(3-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

C148-0651 Screening compound: N-(4-methoxyphenyl)-2-[1-(3-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
C148-0651 Screening compound: N-(4-methoxyphenyl)-2-[1-(3-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0651
N-(4-methoxyphenyl)-2-[1-(3-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]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

C148-0651

Molecular Formula

C27H35N5O4S (C27 H35 N5 O4 S)

Compound Name

N-(4-methoxyphenyl)-2-[1-(3-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

IUPAC name

N-(4-methoxyphenyl)-2-[1-(3-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

SMILES

CN1CCN(CCCN(C(CC(Nc(cc2)ccc2OC)=O)C(N2c3cc(OC)ccc3)=O)C2=S)CC1

InChI

InChI=1S/C27H35N5O4S/c1-29-14-16-30(17-15-29)12-5-13-31-24(19-25(33)28-20-8-10-22(35-2)11-9-20)26(34)32(27(31)37)21-6-4-7-23(18-21)36-3/h4,6-11,18,24H,5,12-17,19H2,1-3H3,(H,28,33)/t24-/m1/s1

InChI Key

RSHBBLWDKPHVEE-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14722709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.992

Distribution Coefficient, logD

1.177

Water Solubility, LogSw

-2.85

Polar Surface Area

63.922

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

C148-0651 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C148-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0651?
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What is the minimum amount of C148-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0651
  • 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 C148-0651 available by request