4628-0368 Screening compound: 4-methyl-N-[(1Z)-1-[3-(4-methylbenzenesulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]ethylidene]benzene-1-sulfonamide

4628-0368 Screening compound: 4-methyl-N-[(1Z)-1-[3-(4-methylbenzenesulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]ethylidene]benzene-1-sulfonamide
4628-0368 Screening compound: 4-methyl-N-[(1Z)-1-[3-(4-methylbenzenesulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]ethylidene]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4628-0368
4-methyl-N-[(1Z)-1-[3-(4-methylbenzenesulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]ethylidene]benzene-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

4628-0368

Molecular Formula

C22H29N3O4S2 (C22 H29 N3 O4 S2)

Compound Name

4-methyl-N-[(1Z)-1-[3-(4-methylbenzenesulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]ethylidene]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[(1Z)-1-[3-(4-methylbenzenesulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]ethylidene]benzene-1-sulfonamide

SMILES

CC(C)C(N(CC1)/C(/C)=N\S(c2ccc(C)cc2)(=O)=O)N1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C22H29N3O4S2/c1-16(2)22-24(19(5)23-30(26,27)20-10-6-17(3)7-11-20)14-15-25(22)31(28,29)21-12-8-18(4)9-13-21/h6-13,16,22H,14-15H2,1-5H3/t22-/m0/s1

InChI Key

SEXSBGFPNSOKKX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03143664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.563

Distribution Coefficient, logD

4.563

Water Solubility, LogSw

-4.21

Polar Surface Area

74.917

Acid Dissociation Constant (pKa)

23.87

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

4628-0368 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4628-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4628-0368?
Check Price and Availability of 4628-0368, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4628-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4628-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4628-0368
  • 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 4628-0368 available by request