4628-0391 Screening compound: N-[(1Z)-1-{2-[4-(dimethylamino)phenyl]-3-(4-methylbenzenesulfonyl)imidazolidin-1-yl}-2-(piperidin-1-yl)ethylidene]-4-methylbenzene-1-sulfonamide

4628-0391 Screening compound: N-[(1Z)-1-{2-[4-(dimethylamino)phenyl]-3-(4-methylbenzenesulfonyl)imidazolidin-1-yl}-2-(piperidin-1-yl)ethylidene]-4-methylbenzene-1-sulfonamide
4628-0391 Screening compound: N-[(1Z)-1-{2-[4-(dimethylamino)phenyl]-3-(4-methylbenzenesulfonyl)imidazolidin-1-yl}-2-(piperidin-1-yl)ethylidene]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4628-0391
N-[(1Z)-1-{2-[4-(dimethylamino)phenyl]-3-(4-methylbenzenesulfonyl)imidazolidin-1-yl}-2-(piperidin-1-yl)ethylidene]-4-methylbenzene-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

4628-0391

Molecular Formula

C32H41N5O4S2 (C32 H41 N5 O4 S2)

Compound Name

N-[(1Z)-1-{2-[4-(dimethylamino)phenyl]-3-(4-methylbenzenesulfonyl)imidazolidin-1-yl}-2-(piperidin-1-yl)ethylidene]-4-methylbenzene-1-sulfonamide

IUPAC name

N-[(1Z)-1-{2-[4-(dimethylamino)phenyl]-3-(4-methylbenzenesulfonyl)imidazolidin-1-yl}-2-(piperidin-1-yl)ethylidene]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(CC1)C(c(cc2)ccc2N(C)C)N1/C(/CN1CCCCC1)=N\S(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C32H41N5O4S2/c1-25-8-16-29(17-9-25)42(38,39)33-31(24-35-20-6-5-7-21-35)36-22-23-37(43(40,41)30-18-10-26(2)11-19-30)32(36)27-12-14-28(15-13-27)34(3)4/h8-19,32H,5-7,20-24H2,1-4H3/t32-/m0/s1

InChI Key

IUCDUJXVZAOORY-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD03164881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

623.84

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.447

Distribution Coefficient, logD

5.338

Water Solubility, LogSw

-5.25

Polar Surface Area

81.079

Acid Dissociation Constant (pKa)

23.73

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.60

4628-0391 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4628-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4628-0391?
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What is the minimum amount of 4628-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4628-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4628-0391
  • 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 4628-0391 available by request