E871-0504 Screening compound: ethyl 4-({2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

E871-0504 Screening compound: ethyl 4-({2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate
E871-0504 Screening compound: ethyl 4-({2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E871-0504
ethyl 4-({2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

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

E871-0504

Molecular Formula

C21H24ClN3O5S (C21 H24 ClN3 O5 S)

Compound Name

ethyl 4-({2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

IUPAC name

ethyl 4-(2-{6-[(4-chlorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(CCCN1Cc(cc2)ccc2Cl)S1(=O)=O)=O)=O

InChI

InChI=1S/C21H24ClN3O5S/c1-2-30-21(27)17-6-10-19(11-7-17)23-20(26)15-25-13-3-12-24(31(25,28)29)14-16-4-8-18(22)9-5-16/h4-11H,2-3,12-15H2,1H3,(H,23,26)

InChI Key

FCERHGPTOVBTAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.96

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-4.14

Polar Surface Area

80.282

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E871-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E871-0504?
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What is the minimum amount of E871-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E871-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E871-0504
  • 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 E871-0504 available by request