E960-1286 Screening compound: 1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

E960-1286 Screening compound: 1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
E960-1286 Screening compound: 1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-1286
1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-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

E960-1286

Molecular Formula

C24H25N5O4S (C24 H25 N5 O4 S)

Compound Name

1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one

IUPAC name

1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5-{[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1H6H7H-pyrazolo[43-d]pyrimidin-7-one

SMILES

CCn1nc(C)c(N=C(N2Cc3ccco3)SCC(N3c(cc(C)cc4)c4OCC3)=O)c1C2=O

InChI

InChI=1S/C24H25N5O4S/c1-4-29-22-21(16(3)26-29)25-24(28(23(22)31)13-17-6-5-10-32-17)34-14-20(30)27-9-11-33-19-8-7-15(2)12-18(19)27/h5-8,10,12H,4,9,11,13-14H2,1-3H3

InChI Key

ZRMYJTZKHFHWAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.755

Distribution Coefficient, logD

2.755

Water Solubility, LogSw

-2.95

Polar Surface Area

68.195

Acid Dissociation Constant (pKa)

27.60

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E960-1286 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E960-1286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-1286?
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What is the minimum amount of E960-1286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-1286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-1286
  • 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 E960-1286 available by request