3359-0092 Screening compound: 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-methoxyphenyl)-4-(methylsulfanyl)butanamide

3359-0092 Screening compound: 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-methoxyphenyl)-4-(methylsulfanyl)butanamide
3359-0092 Screening compound: 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-methoxyphenyl)-4-(methylsulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3359-0092
2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-methoxyphenyl)-4-(methylsulfanyl)butanamide

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

3359-0092

Molecular Formula

C20H18Cl2N2O4S (C20 H18 Cl2 N2 O4 S)

Compound Name

2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(2-methoxyphenyl)-4-(methylsulfanyl)butanamide

IUPAC name

2-(56-dichloro-13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(2-methoxyphenyl)-4-(methylsulfanyl)butanamide

SMILES

COc(cccc1)c1NC(C(CCSC)N(C(c(c1c2)cc(Cl)c2Cl)=O)C1=O)=O

InChI

InChI=1S/C20H18Cl2N2O4S/c1-28-17-6-4-3-5-15(17)23-18(25)16(7-8-29-2)24-19(26)11-9-13(21)14(22)10-12(11)20(24)27/h3-6,9-10,16H,7-8H2,1-2H3,(H,23,25)/t16-/m0/s1

InChI Key

DTYMJCVMGBCBMX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02028374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.241

Distribution Coefficient, logD

5.241

Water Solubility, LogSw

-5.65

Polar Surface Area

58.712

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3359-0092 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 3359-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3359-0092?
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What is the minimum amount of 3359-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3359-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3359-0092
  • 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 3359-0092 available by request