C679-1892 Screening compound: 2-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

C679-1892 Screening compound: 2-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
C679-1892 Screening compound: 2-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-1892
2-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-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

C679-1892

Molecular Formula

C27H27N5O4S2 (C27 H27 N5 O4 S2)

Compound Name

2-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

IUPAC name

5-[3-ethoxy-4-({2-ethyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]-11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)4-trien-3-one

SMILES

CCC(SC1=NC(COc(ccc(C(Nc2c3c(CCC(C)C4)c4s2)=NC3=O)c2)c2OCC)=C2)=NN1C2=O

InChI

InChI=1S/C27H27N5O4S2/c1-4-21-31-32-22(33)12-16(28-27(32)38-21)13-36-18-9-7-15(11-19(18)35-5-2)24-29-25(34)23-17-8-6-14(3)10-20(17)37-26(23)30-24/h7,9,11-12,14H,4-6,8,10,13H2,1-3H3,(H,29,30,34)/t14-/m1/s1

InChI Key

OOFDDJZJRBQCMI-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14781267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.222

Distribution Coefficient, logD

4.222

Water Solubility, LogSw

-4.49

Polar Surface Area

87.446

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

C679-1892 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C679-1892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-1892?
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What is the minimum amount of C679-1892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-1892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-1892
  • 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 C679-1892 available by request