E871-0121 Screening compound: N~1~-(3-ethylphenyl)-2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

E871-0121 Screening compound: N~1~-(3-ethylphenyl)-2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide
E871-0121 Screening compound: N~1~-(3-ethylphenyl)-2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E871-0121
N~1~-(3-ethylphenyl)-2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]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

E871-0121

Molecular Formula

C20H24FN3O3S (C20 H24 FN3 O3 S)

Compound Name

N~1~-(3-ethylphenyl)-2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

IUPAC name

N-(3-ethylphenyl)-2-{6-[(4-fluorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamide

SMILES

CCc1cccc(NC(CN(CCCN2Cc(cc3)ccc3F)S2(=O)=O)=O)c1

InChI

InChI=1S/C20H24FN3O3S/c1-2-16-5-3-6-19(13-16)22-20(25)15-24-12-4-11-23(28(24,26)27)14-17-7-9-18(21)10-8-17/h3,5-10,13H,2,4,11-12,14-15H2,1H3,(H,22,25)

InChI Key

CJPZGAACMTWHEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.37

Polar Surface Area

59.528

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with E871-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E871-0121?
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What is the minimum amount of E871-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E871-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E871-0121
  • 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 E871-0121 available by request