8001-2890 Screening compound: N-[(2-{[3-amino-6-(2-thienyl)thieno[2,3-b]pyridin-2-yl]carbonyl}-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-1-cyclohexanecarboxamide

8001-2890 Screening compound: N-[(2-{[3-amino-6-(2-thienyl)thieno[2,3-b]pyridin-2-yl]carbonyl}-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-1-cyclohexanecarboxamide
8001-2890 Screening compound: N-[(2-{[3-amino-6-(2-thienyl)thieno[2,3-b]pyridin-2-yl]carbonyl}-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-2890
N-[(2-{[3-amino-6-(2-thienyl)thieno[2,3-b]pyridin-2-yl]carbonyl}-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-1-cyclohexanecarboxamide

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

8001-2890

Molecular Formula

C29H30N4O2S2 (C29 H30 N4 O2 S2)

Compound Name

N-[(2-{[3-amino-6-(2-thienyl)thieno[2,3-b]pyridin-2-yl]carbonyl}-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-1-cyclohexanecarboxamide

IUPAC name

N-({2-[3-amino-6-(thiophen-2-yl)thieno[23-b]pyridine-2-carbonyl]-1234-tetrahydroisoquinolin-1-yl}methyl)cyclohexanecarboxamide

SMILES

Nc1c(C(N(CC2)C(CNC(C3CCCCC3)=O)c3c2cccc3)=O)sc2nc(-c3cccs3)ccc12

InChI

InChI=1S/C29H30N4O2S2/c30-25-21-12-13-22(24-11-6-16-36-24)32-28(21)37-26(25)29(35)33-15-14-18-7-4-5-10-20(18)23(33)17-31-27(34)19-8-2-1-3-9-19/h4-7,10-13,16,19,23H,1-3,8-9,14-15,17,30H2,(H,31,34)/t23-/m0/s1

InChI Key

HIQBNKNMMOFFQD-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00472939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.297

Distribution Coefficient, logD

6.295

Water Solubility, LogSw

-5.87

Polar Surface Area

70.544

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.48

8001-2890 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8001-2890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-2890?
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What is the minimum amount of 8001-2890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-2890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-2890
  • 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 8001-2890 available by request