E961-1097 Screening compound: N-cyclohexyl-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide

E961-1097 Screening compound: N-cyclohexyl-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
E961-1097 Screening compound: N-cyclohexyl-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-1097
N-cyclohexyl-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}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

E961-1097

Molecular Formula

C23H28FN5O3 (C23 H28 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCn1nc(C)c(N(CC(NC2CCCCC2)=O)C(N2Cc(cc3)ccc3F)=O)c1C2=O

InChI

InChI=1S/C23H28FN5O3/c1-3-29-21-20(15(2)26-29)27(14-19(30)25-18-7-5-4-6-8-18)23(32)28(22(21)31)13-16-9-11-17(24)12-10-16/h9-12,18H,3-8,13-14H2,1-2H3,(H,25,30)

InChI Key

BKYPXHODOZQURJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.749

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-2.90

Polar Surface Area

70.540

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

E961-1097 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E961-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-1097?
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What is the minimum amount of E961-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-1097
  • 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 E961-1097 available by request