4473-0787 Screening compound: N-{6-tert-butyl-3-[(4-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide

4473-0787 Screening compound: N-{6-tert-butyl-3-[(4-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide
4473-0787 Screening compound: N-{6-tert-butyl-3-[(4-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4473-0787
N-{6-tert-butyl-3-[(4-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-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

4473-0787

Molecular Formula

C27H31N3O3S (C27 H31 N3 O3 S)

Compound Name

N-{6-tert-butyl-3-[(4-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide

IUPAC name

N-{6-tert-butyl-3-[(4-ethoxyphenyl)carbamoyl]-4567-tetrahydro-1-benzothiophen-2-yl}pyridine-3-carboxamide

SMILES

CCOc(cc1)ccc1NC(c1c(NC(c2cnccc2)=O)sc(C2)c1CCC2C(C)(C)C)=O

InChI

InChI=1S/C27H31N3O3S/c1-5-33-20-11-9-19(10-12-20)29-25(32)23-21-13-8-18(27(2,3)4)15-22(21)34-26(23)30-24(31)17-7-6-14-28-16-17/h6-7,9-12,14,16,18H,5,8,13,15H2,1-4H3,(H,29,32)(H,30,31)/t18-/m1/s1

InChI Key

CGMCIHDAQUKJNB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03199655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.780

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-5.23

Polar Surface Area

62.777

Acid Dissociation Constant (pKa)

5.99

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

4473-0787 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4473-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4473-0787?
Check Price and Availability of 4473-0787, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4473-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4473-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4473-0787
  • 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 4473-0787 available by request