5627-0030 Screening compound: 1-(benzylsulfanyl)-7-isopropyl-4-(4-methoxyphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

5627-0030 Screening compound: 1-(benzylsulfanyl)-7-isopropyl-4-(4-methoxyphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
5627-0030 Screening compound: 1-(benzylsulfanyl)-7-isopropyl-4-(4-methoxyphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5627-0030
1-(benzylsulfanyl)-7-isopropyl-4-(4-methoxyphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-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

5627-0030

Molecular Formula

C27H26N4O3S2 (C27 H26 N4 O3 S2)

Compound Name

1-(benzylsulfanyl)-7-isopropyl-4-(4-methoxyphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

3-(benzylsulfanyl)-7-(4-methoxyphenyl)-12-(propan-2-yl)-13-oxa-16-thia-2457-tetraazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)3510(15)-tetraen-8-one

SMILES

CC(C)C(C1)OCc2c1c(C(N(c(n1-3)nnc1SCc1ccccc1)c(cc1)ccc1OC)=O)c3s2

InChI

InChI=1S/C27H26N4O3S2/c1-16(2)21-13-20-22(14-34-21)36-25-23(20)24(32)30(18-9-11-19(33-3)12-10-18)26-28-29-27(31(25)26)35-15-17-7-5-4-6-8-17/h4-12,16,21H,13-15H2,1-3H3/t21-/m1/s1

InChI Key

GOEPNMIRUXAAPL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03285623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.403

Distribution Coefficient, logD

5.403

Water Solubility, LogSw

-5.45

Polar Surface Area

54.968

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

5627-0030 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5627-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5627-0030?
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What is the minimum amount of 5627-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5627-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5627-0030
  • 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 5627-0030 available by request