4576-0153 Screening compound: 2,2-dimethyl-5-phenyl-8-(1-pyrrolidinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

4576-0153 Screening compound: 2,2-dimethyl-5-phenyl-8-(1-pyrrolidinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
4576-0153 Screening compound: 2,2-dimethyl-5-phenyl-8-(1-pyrrolidinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4576-0153
2,2-dimethyl-5-phenyl-8-(1-pyrrolidinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

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

4576-0153

Molecular Formula

C24H24N4OS (C24 H24 N4 OS)

Compound Name

2,2-dimethyl-5-phenyl-8-(1-pyrrolidinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

IUPAC name

44-dimethyl-8-phenyl-13-(pyrrolidin-1-yl)-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaene

SMILES

CC1(C)OCc2c(-c3ccccc3)nc3sc4c(N5CCCC5)ncnc4c3c2C1

InChI

InChI=1S/C24H24N4OS/c1-24(2)12-16-17(13-29-24)19(15-8-4-3-5-9-15)27-23-18(16)20-21(30-23)22(26-14-25-20)28-10-6-7-11-28/h3-5,8-9,14H,6-7,10-13H2,1-2H3

InChI Key

ZRHIEDUSZRJLKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02982054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.930

Distribution Coefficient, logD

5.927

Water Solubility, LogSw

-5.97

Polar Surface Area

42.122

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

4576-0153 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4576-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4576-0153?
Check Price and Availability of 4576-0153, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4576-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4576-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4576-0153
  • 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 4576-0153 available by request