E870-0046 Screening compound: 2-(5-benzyl-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl)-N~1~-(2,4-dimethylphenyl)acetamide

E870-0046 Screening compound: 2-(5-benzyl-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl)-N~1~-(2,4-dimethylphenyl)acetamide
E870-0046 Screening compound: 2-(5-benzyl-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl)-N~1~-(2,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E870-0046
2-(5-benzyl-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl)-N~1~-(2,4-dimethylphenyl)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

E870-0046

Molecular Formula

C19H23N3O3S (C19 H23 N3 O3 S)

Compound Name

2-(5-benzyl-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl)-N~1~-(2,4-dimethylphenyl)acetamide

IUPAC name

2-(5-benzyl-11-dioxo-1lambda625-thiadiazolidin-2-yl)-N-(24-dimethylphenyl)acetamide

SMILES

Cc(cc1)cc(C)c1NC(CN(CCN1Cc2ccccc2)S1(=O)=O)=O

InChI

InChI=1S/C19H23N3O3S/c1-15-8-9-18(16(2)12-15)20-19(23)14-22-11-10-21(26(22,24)25)13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,23)

InChI Key

KQJYMGYQBHCKTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-3.13

Polar Surface Area

59.196

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with E870-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E870-0046?
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What is the minimum amount of E870-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E870-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E870-0046
  • 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 E870-0046 available by request