E870-0171 Screening compound: ethyl 2-({2-[5-(2-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]acetyl}amino)benzoate

E870-0171 Screening compound: ethyl 2-({2-[5-(2-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]acetyl}amino)benzoate
E870-0171 Screening compound: ethyl 2-({2-[5-(2-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E870-0171
ethyl 2-({2-[5-(2-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-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

E870-0171

Molecular Formula

C20H22ClN3O5S (C20 H22 ClN3 O5 S)

Compound Name

ethyl 2-({2-[5-(2-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]acetyl}amino)benzoate

IUPAC name

ethyl 2-(2-{5-[(2-chlorophenyl)methyl]-11-dioxo-1lambda625-thiadiazolidin-2-yl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(CCN1Cc(cccc2)c2Cl)S1(=O)=O)=O)=O

InChI

InChI=1S/C20H22ClN3O5S/c1-2-29-20(26)16-8-4-6-10-18(16)22-19(25)14-24-12-11-23(30(24,27)28)13-15-7-3-5-9-17(15)21/h3-10H,2,11-14H2,1H3,(H,22,25)

InChI Key

QCXLGCKSNGTZMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.93

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

3.131

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.60

Polar Surface Area

79.950

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with E870-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E870-0171?
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What is the minimum amount of E870-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E870-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E870-0171
  • 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 E870-0171 available by request