3949-2169 Screening compound: 2-{3-chloro-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]-5-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3949-2169 Screening compound: 2-{3-chloro-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]-5-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3949-2169 Screening compound: 2-{3-chloro-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]-5-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3949-2169
2-{3-chloro-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]-5-methoxyphenyl}-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

3949-2169

Molecular Formula

C29H31ClN2O4S (C29 H31 ClN2 O4 S)

Compound Name

2-{3-chloro-4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]-5-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-(3-chloro-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(C)c(ccc(C)c1)c1OCCOc(c(OC)cc(C(N1)=Nc(sc2c3CCCC2)c3C1=O)c1)c1Cl

InChI

InChI=1S/C29H31ClN2O4S/c1-16(2)19-10-9-17(3)13-22(19)35-11-12-36-26-21(30)14-18(15-23(26)34-4)27-31-28(33)25-20-7-5-6-8-24(20)37-29(25)32-27/h9-10,13-16H,5-8,11-12H2,1-4H3,(H,31,32,33)

InChI Key

KAXPFCAQMIXDCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.09

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.171

Distribution Coefficient, logD

7.123

Water Solubility, LogSw

-6.60

Polar Surface Area

57.168

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

3949-2169 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3949-2169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3949-2169?
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What is the minimum amount of 3949-2169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3949-2169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3949-2169
  • 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 3949-2169 available by request