M144-0774 Screening compound: 4-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1H-imidazol-1-yl)-N,N-dimethylbenzene-1-sulfonamide

M144-0774 Screening compound: 4-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1H-imidazol-1-yl)-N,N-dimethylbenzene-1-sulfonamide
M144-0774 Screening compound: 4-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1H-imidazol-1-yl)-N,N-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M144-0774
4-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1H-imidazol-1-yl)-N,N-dimethylbenzene-1-sulfonamide

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

M144-0774

Molecular Formula

C24H27N5O5S (C24 H27 N5 O5 S)

Compound Name

4-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1H-imidazol-1-yl)-N,N-dimethylbenzene-1-sulfonamide

IUPAC name

4-(4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1H-imidazol-1-yl)-NN-dimethylbenzene-1-sulfonamide

SMILES

CN(C)S(c(cc1)ccc1-n1cnc(C(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)c1)(=O)=O

InChI

InChI=1S/C24H27N5O5S/c1-26(2)35(31,32)20-6-4-19(5-7-20)29-15-21(25-16-29)24(30)28-11-9-27(10-12-28)14-18-3-8-22-23(13-18)34-17-33-22/h3-8,13,15-16H,9-12,14,17H2,1-2H3

InChI Key

HBMYGXJELZFTCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.155

Distribution Coefficient, logD

1.962

Water Solubility, LogSw

-2.84

Polar Surface Area

83.444

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M144-0774 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M144-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M144-0774?
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What is the minimum amount of M144-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M144-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M144-0774
  • 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 M144-0774 available by request