D076-0103 Screening compound: 5-bromo-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-methoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide

D076-0103 Screening compound: 5-bromo-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-methoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide
D076-0103 Screening compound: 5-bromo-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-methoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0103
5-bromo-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-methoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide

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

D076-0103

Molecular Formula

C22H22BrNO5S (C22 H22 BrNO5 S)

Compound Name

5-bromo-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(3-methoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

5-bromo-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(N(Cc2cc(OC)ccc2)C(CC2)CS2(=O)=O)=O)oc(cc2)c1cc2Br

InChI

InChI=1S/C22H22BrNO5S/c1-14-19-11-16(23)6-7-20(19)29-21(14)22(25)24(17-8-9-30(26,27)13-17)12-15-4-3-5-18(10-15)28-2/h3-7,10-11,17H,8-9,12-13H2,1-2H3/t17-/m0/s1

InChI Key

YSZYHXPTPPWTTE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06648011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-4.06

Polar Surface Area

59.929

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

D076-0103 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D076-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0103?
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What is the minimum amount of D076-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0103
  • 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 D076-0103 available by request