D076-0107 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-fluoro-N~2~-(3-methoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide

D076-0107 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-fluoro-N~2~-(3-methoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide
D076-0107 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-fluoro-N~2~-(3-methoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0107
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-fluoro-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

D076-0107

Molecular Formula

C22H22FNO5S (C22 H22 FNO5 S)

Compound Name

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

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-5-fluoro-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)c1cc2F

InChI

InChI=1S/C22H22FNO5S/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-/m1/s1

InChI Key

RGHLPBVHCKRLPP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06647898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.48

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

3.175

Distribution Coefficient, logD

3.175

Water Solubility, LogSw

-3.34

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

D076-0107 in Drug Discovery

Included in Screening Libraries

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 D076-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0107?
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What is the minimum amount of D076-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0107
  • 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 D076-0107 available by request