8017-7778 Screening compound: 2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

8017-7778 Screening compound: 2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
8017-7778 Screening compound: 2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7778
2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-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

8017-7778

Molecular Formula

C16H19ClN4O2S (C16 H19 ClN4 O2 S)

Compound Name

2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-[2-(4-chloro-35-dimethyl-1H-pyrazol-1-yl)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

Cc(n(CC(Nc1c(C(N)=O)c(CCCC2)c2s1)=O)nc1C)c1Cl

InChI

InChI=1S/C16H19ClN4O2S/c1-8-14(17)9(2)21(20-8)7-12(22)19-16-13(15(18)23)10-5-3-4-6-11(10)24-16/h3-7H2,1-2H3,(H2,18,23)(H,19,22)

InChI Key

VVKTVZNUGYGELP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.342

Distribution Coefficient, logD

0.883

Water Solubility, LogSw

-3.04

Polar Surface Area

71.443

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

8017-7778 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-7778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7778?
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What is the minimum amount of 8017-7778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7778
  • 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 8017-7778 available by request