E961-1110 Screening compound: N-ethyl-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-phenylacetamide

E961-1110 Screening compound: N-ethyl-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-phenylacetamide
E961-1110 Screening compound: N-ethyl-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-1110
N-ethyl-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-phenylacetamide

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

E961-1110

Molecular Formula

C25H26FN5O3 (C25 H26 FN5 O3)

Compound Name

N-ethyl-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-phenylacetamide

IUPAC name

N-ethyl-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-57-dioxo-1H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl}-N-phenylacetamide

SMILES

CCN(C(CN(c1c(C(N2Cc(cc3)ccc3F)=O)n(CC)nc1C)C2=O)=O)c1ccccc1

InChI

InChI=1S/C25H26FN5O3/c1-4-28(20-9-7-6-8-10-20)21(32)16-29-22-17(3)27-31(5-2)23(22)24(33)30(25(29)34)15-18-11-13-19(26)14-12-18/h6-14H,4-5,15-16H2,1-3H3

InChI Key

DVVMEKVFYMJCOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.902

Water Solubility, LogSw

-3.03

Polar Surface Area

61.435

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

E961-1110 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E961-1110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-1110?
Check Price and Availability of E961-1110, 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 E961-1110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-1110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-1110
  • 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 E961-1110 available by request