3365-6636 Screening compound: methyl 2-[2-(3-bromophenyl)quinoline-4-amido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3365-6636 Screening compound: methyl 2-[2-(3-bromophenyl)quinoline-4-amido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3365-6636 Screening compound: methyl 2-[2-(3-bromophenyl)quinoline-4-amido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3365-6636
methyl 2-[2-(3-bromophenyl)quinoline-4-amido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

3365-6636

Molecular Formula

C31H31BrN2O3S (C31 H31 BrN2 O3 S)

Compound Name

methyl 2-[2-(3-bromophenyl)quinoline-4-amido]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-[2-(3-bromophenyl)quinoline-4-amido]-6-(2-methylbutan-2-yl)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCC(C)(C)C(CC1)Cc2c1c(C(OC)=O)c(NC(c1cc(-c3cccc(Br)c3)nc3ccccc13)=O)s2

InChI

InChI=1S/C31H31BrN2O3S/c1-5-31(2,3)19-13-14-22-26(16-19)38-29(27(22)30(36)37-4)34-28(35)23-17-25(18-9-8-10-20(32)15-18)33-24-12-7-6-11-21(23)24/h6-12,15,17,19H,5,13-14,16H2,1-4H3,(H,34,35)/t19-/m1/s1

InChI Key

JHXQVRNGIXREAJ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01353331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.483

Distribution Coefficient, logD

6.543

Water Solubility, LogSw

-6.00

Polar Surface Area

52.278

Acid Dissociation Constant (pKa)

5.47

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

3365-6636 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 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
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3365-6636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3365-6636?
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What is the minimum amount of 3365-6636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3365-6636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3365-6636
  • 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 3365-6636 available by request