6228-1801 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-carboxamide

6228-1801 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-carboxamide
6228-1801 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1801
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-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

6228-1801

Molecular Formula

C28H32N2O4S (C28 H32 N2 O4 S)

Compound Name

N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-carboxamide

IUPAC name

N-(6-tert-butyl-3-carbamoyl-4567-tetrahydro-1-benzothiophen-2-yl)-5-[(23-dihydro-1H-inden-5-yloxy)methyl]furan-2-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N)=O)c(NC(c1ccc(COc3cc(CCC4)c4cc3)o1)=O)s2

InChI

InChI=1S/C28H32N2O4S/c1-28(2,3)18-8-11-21-23(14-18)35-27(24(21)25(29)31)30-26(32)22-12-10-20(34-22)15-33-19-9-7-16-5-4-6-17(16)13-19/h7,9-10,12-13,18H,4-6,8,11,14-15H2,1-3H3,(H2,29,31)(H,30,32)/t18-/m1/s1

InChI Key

ZOHJLYJPFMILOK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02174332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.541

Distribution Coefficient, logD

4.560

Water Solubility, LogSw

-5.46

Polar Surface Area

72.459

Acid Dissociation Constant (pKa)

6.47

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

6228-1801 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6228-1801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1801?
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What is the minimum amount of 6228-1801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1801
  • 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 6228-1801 available by request