E871-0331 Screening compound: ethyl 4-({2-[6-(3-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

E871-0331 Screening compound: ethyl 4-({2-[6-(3-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate
E871-0331 Screening compound: ethyl 4-({2-[6-(3-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E871-0331
ethyl 4-({2-[6-(3-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

E871-0331

Molecular Formula

C21H24ClN3O5S (C21 H24 ClN3 O5 S)

Compound Name

ethyl 4-({2-[6-(3-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetyl}amino)benzoate

IUPAC name

ethyl 4-(2-{6-[(3-chlorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(CCCN1Cc2cccc(Cl)c2)S1(=O)=O)=O)=O

InChI

InChI=1S/C21H24ClN3O5S/c1-2-30-21(27)17-7-9-19(10-8-17)23-20(26)15-25-12-4-11-24(31(25,28)29)14-16-5-3-6-18(22)13-16/h3,5-10,13H,2,4,11-12,14-15H2,1H3,(H,23,26)

InChI Key

YUJVTXYQUUNLLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925280

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

3.696

Distribution Coefficient, logD

3.695

Water Solubility, LogSw

-4.10

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 E871-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E871-0331?
Check Price and Availability of E871-0331, 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 E871-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E871-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E871-0331
  • 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 E871-0331 available by request