E960-0912 Screening compound: 2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-ethylphenyl)acetamide

E960-0912 Screening compound: 2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-ethylphenyl)acetamide
E960-0912 Screening compound: 2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-0912
2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-ethylphenyl)acetamide

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

E960-0912

Molecular Formula

C26H29N5O2S (C26 H29 N5 O2 S)

Compound Name

2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-ethylphenyl)acetamide

IUPAC name

2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H6H7H-pyrazolo[43-d]pyrimidin-5-yl}sulfanyl)-N-(3-ethylphenyl)acetamide

SMILES

CCc1cccc(NC(CSC(N(Cc2ccc(C)cc2)C2=O)=Nc3c2n(CC)nc3C)=O)c1

InChI

InChI=1S/C26H29N5O2S/c1-5-19-8-7-9-21(14-19)27-22(32)16-34-26-28-23-18(4)29-31(6-2)24(23)25(33)30(26)15-20-12-10-17(3)11-13-20/h7-14H,5-6,15-16H2,1-4H3,(H,27,32)

InChI Key

ZVYFZCLGDCYQBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.30

Polar Surface Area

60.587

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with E960-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-0912?
Check Price and Availability of E960-0912, 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 E960-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-0912
  • 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 E960-0912 available by request