D076-0226 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-4-nitrobenzamide

D076-0226 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-4-nitrobenzamide
D076-0226 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0226
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-4-nitrobenzamide

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

D076-0226

Molecular Formula

C18H17FN2O5S (C18 H17 FN2 O5 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-4-nitrobenzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(N(Cc(cccc1)c1F)C(CC1)CS1(=O)=O)=O)=O

InChI

InChI=1S/C18H17FN2O5S/c19-17-4-2-1-3-14(17)11-20(16-9-10-27(25,26)12-16)18(22)13-5-7-15(8-6-13)21(23)24/h1-8,16H,9-12H2/t16-/m1/s1

InChI Key

FDLOVKWUGNYBJK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06645613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.359

Distribution Coefficient, logD

2.359

Water Solubility, LogSw

-2.67

Polar Surface Area

77.241

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with D076-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0226?
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What is the minimum amount of D076-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0226
  • 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 D076-0226 available by request