D076-0132 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-(2-nitrophenoxy)acetamide

D076-0132 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-(2-nitrophenoxy)acetamide
D076-0132 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-(2-nitrophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0132
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)-2-(2-nitrophenoxy)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

D076-0132

Molecular Formula

C19H19FN2O6S (C19 H19 FN2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cccc1)c1OCC(N(Cc1cc(F)ccc1)C(CC1)CS1(=O)=O)=O)=O

InChI

InChI=1S/C19H19FN2O6S/c20-15-5-3-4-14(10-15)11-21(16-8-9-29(26,27)13-16)19(23)12-28-18-7-2-1-6-17(18)22(24)25/h1-7,10,16H,8-9,11-13H2/t16-/m1/s1

InChI Key

ZOOBINOAHHAQIZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD07426664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.583

Distribution Coefficient, logD

1.583

Water Solubility, LogSw

-2.36

Polar Surface Area

83.999

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D076-0132 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D076-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0132?
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What is the minimum amount of D076-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0132
  • 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 D076-0132 available by request