E782-0652 Screening compound: tert-butyl 4-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]tetrahydro-1(2H)-pyrazinecarboxylate

E782-0652 Screening compound: tert-butyl 4-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]tetrahydro-1(2H)-pyrazinecarboxylate
E782-0652 Screening compound: tert-butyl 4-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E782-0652
tert-butyl 4-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

E782-0652

Molecular Formula

C16H22N4O6S2 (C16 H22 N4 O6 S2)

Compound Name

tert-butyl 4-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

tert-butyl 4-[(11-dioxo-2H-1lambda624-benzothiadiazin-7-yl)sulfonyl]piperazine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCN1S(c(cc1)cc2c1N=CNS2(=O)=O)(=O)=O)=O

InChI

InChI=1S/C16H22N4O6S2/c1-16(2,3)26-15(21)19-6-8-20(9-7-19)28(24,25)12-4-5-13-14(10-12)27(22,23)18-11-17-13/h4-5,10-11H,6-9H2,1-3H3,(H,17,18)

InChI Key

JOLLUICVBMEKEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.135

Distribution Coefficient, logD

1.626

Water Solubility, LogSw

-2.85

Polar Surface Area

105.692

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with E782-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E782-0652?
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What is the minimum amount of E782-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E782-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E782-0652
  • 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 E782-0652 available by request