3365-6536 Screening compound: N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide

3365-6536 Screening compound: N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
3365-6536 Screening compound: N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3365-6536
N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,4-dimethoxyphenyl)quinoline-4-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

3365-6536

Molecular Formula

C32H35N3O4S (C32 H35 N3 O4 S)

Compound Name

N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide

IUPAC name

N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4567-tetrahydro-1-benzothiophen-2-yl]-2-(24-dimethoxyphenyl)quinoline-4-carboxamide

SMILES

CCC(C)(C)C(CC1)Cc2c1c(C(N)=O)c(NC(c1cc(-c(ccc(OC)c3)c3OC)nc3ccccc13)=O)s2

InChI

InChI=1S/C32H35N3O4S/c1-6-32(2,3)18-11-13-22-27(15-18)40-31(28(22)29(33)36)35-30(37)23-17-25(34-24-10-8-7-9-20(23)24)21-14-12-19(38-4)16-26(21)39-5/h7-10,12,14,16-18H,6,11,13,15H2,1-5H3,(H2,33,36)(H,35,37)/t18-/m1/s1

InChI Key

UBUPMEGIMDPOTB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01353257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.729

Distribution Coefficient, logD

5.491

Water Solubility, LogSw

-5.70

Polar Surface Area

80.337

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

3365-6536 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3365-6536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3365-6536?
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What is the minimum amount of 3365-6536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3365-6536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3365-6536
  • 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 3365-6536 available by request