E871-0126 Screening compound: N~1~-(3,5-dimethoxyphenyl)-2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

E871-0126 Screening compound: N~1~-(3,5-dimethoxyphenyl)-2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide
E871-0126 Screening compound: N~1~-(3,5-dimethoxyphenyl)-2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E871-0126
N~1~-(3,5-dimethoxyphenyl)-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

E871-0126

Molecular Formula

C20H24FN3O5S (C20 H24 FN3 O5 S)

Compound Name

N~1~-(3,5-dimethoxyphenyl)-2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

IUPAC name

N-(35-dimethoxyphenyl)-2-{6-[(4-fluorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamide

SMILES

COc1cc(NC(CN(CCCN2Cc(cc3)ccc3F)S2(=O)=O)=O)cc(OC)c1

InChI

InChI=1S/C20H24FN3O5S/c1-28-18-10-17(11-19(12-18)29-2)22-20(25)14-24-9-3-8-23(30(24,26)27)13-15-4-6-16(21)7-5-15/h4-7,10-12H,3,8-9,13-14H2,1-2H3,(H,22,25)

InChI Key

YCTRJBMSSWJVFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08541063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.607

Distribution Coefficient, logD

2.607

Water Solubility, LogSw

-3.03

Polar Surface Area

74.616

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E871-0126 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E871-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E871-0126?
Check Price and Availability of E871-0126, 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 E871-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E871-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E871-0126
  • 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 E871-0126 available by request