E210-0008 Screening compound: 7-(tert-butyl)-2-(6-chloro-2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

E210-0008 Screening compound: 7-(tert-butyl)-2-(6-chloro-2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
E210-0008 Screening compound: 7-(tert-butyl)-2-(6-chloro-2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E210-0008
7-(tert-butyl)-2-(6-chloro-2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

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

E210-0008

Molecular Formula

C23H21ClN2O3S (C23 H21 ClN2 O3 S)

Compound Name

7-(tert-butyl)-2-(6-chloro-2-oxo-2H-chromen-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

11-tert-butyl-5-(6-chloro-2-oxo-2H-chromen-3-yl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(NC(C1=Cc(cc(cc3)Cl)c3OC1=O)=N1)=O)c1s2

InChI

InChI=1S/C23H21ClN2O3S/c1-23(2,3)12-4-6-14-17(10-12)30-21-18(14)20(27)25-19(26-21)15-9-11-8-13(24)5-7-16(11)29-22(15)28/h5,7-9,12H,4,6,10H2,1-3H3,(H,25,26,27)/t12-/m1/s1

InChI Key

GZDXYGUNKACNPQ-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14847031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.487

Distribution Coefficient, logD

4.780

Water Solubility, LogSw

-6.16

Polar Surface Area

55.636

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

-5.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

E210-0008 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with E210-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E210-0008?
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What is the minimum amount of E210-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E210-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E210-0008
  • 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 E210-0008 available by request