Y070-4471 Screening compound: N~2~-[4-(diethylamino)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide

Y070-4471 Screening compound: N~2~-[4-(diethylamino)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
Y070-4471 Screening compound: N~2~-[4-(diethylamino)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4471
N~2~-[4-(diethylamino)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,6-dimethyl-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

Y070-4471

Molecular Formula

C26H32N2O4S (C26 H32 N2 O4 S)

Compound Name

N~2~-[4-(diethylamino)benzyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide

IUPAC name

N-{[4-(diethylamino)phenyl]methyl}-N-(11-dioxo-1lambda6-thiolan-3-yl)-36-dimethyl-1-benzofuran-2-carboxamide

SMILES

CCN(CC)c1ccc(CN(C(CC2)CS2(=O)=O)C(c2c(C)c(ccc(C)c3)c3o2)=O)cc1

InChI

InChI=1S/C26H32N2O4S/c1-5-27(6-2)21-10-8-20(9-11-21)16-28(22-13-14-33(30,31)17-22)26(29)25-19(4)23-12-7-18(3)15-24(23)32-25/h7-12,15,22H,5-6,13-14,16-17H2,1-4H3/t22-/m1/s1

InChI Key

LGQZSTMYMDUFGD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04191798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.355

Distribution Coefficient, logD

4.050

Water Solubility, LogSw

-4.35

Polar Surface Area

55.122

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

Y070-4471 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y070-4471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4471?
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What is the minimum amount of Y070-4471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4471
  • 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 Y070-4471 available by request