D076-0325 Screening compound: 5-bromo-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide

D076-0325 Screening compound: 5-bromo-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide
D076-0325 Screening compound: 5-bromo-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0325
5-bromo-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(2-fluorobenzyl)-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

D076-0325

Molecular Formula

C21H19BrFNO4S (C21 H19 BrFNO4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N(Cc(cccc2)c2F)C(CC2)CS2(=O)=O)=O)oc(cc2)c1cc2Br

InChI

InChI=1S/C21H19BrFNO4S/c1-13-17-10-15(22)6-7-19(17)28-20(13)21(25)24(16-8-9-29(26,27)12-16)11-14-4-2-3-5-18(14)23/h2-7,10,16H,8-9,11-12H2,1H3/t16-/m0/s1

InChI Key

YMKKHEZWSFLKOR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06648030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.30

Polar Surface Area

52.386

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D076-0325 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D076-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0325?
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What is the minimum amount of D076-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0325
  • 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 D076-0325 available by request