D076-0015 Screening compound: 2-(4-bromophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)acetamide

D076-0015 Screening compound: 2-(4-bromophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)acetamide
D076-0015 Screening compound: 2-(4-bromophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0015
2-(4-bromophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)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

D076-0015

Molecular Formula

C20H22BrNO5S (C20 H22 BrNO5 S)

Compound Name

2-(4-bromophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-methoxybenzyl)acetamide

IUPAC name

2-(4-bromophenoxy)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide

SMILES

COc1cccc(CN(C(CC2)CS2(=O)=O)C(COc(cc2)ccc2Br)=O)c1

InChI

InChI=1S/C20H22BrNO5S/c1-26-19-4-2-3-15(11-19)12-22(17-9-10-28(24,25)14-17)20(23)13-27-18-7-5-16(21)6-8-18/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1

InChI Key

WOAQBGNYXOXIIA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06649185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.644

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-2.94

Polar Surface Area

58.375

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D076-0015 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D076-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0015?
Check Price and Availability of D076-0015, 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 D076-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0015
  • 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 D076-0015 available by request