E989-0763 Screening compound: N-[(4-fluorophenyl)methyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

E989-0763 Screening compound: N-[(4-fluorophenyl)methyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
E989-0763 Screening compound: N-[(4-fluorophenyl)methyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E989-0763
N-[(4-fluorophenyl)methyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

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

E989-0763

Molecular Formula

C22H24FN5O2 (C22 H24 FN5 O2)

Compound Name

N-[(4-fluorophenyl)methyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

IUPAC name

N-[(4-fluorophenyl)methyl]-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]-4-oxobutanamide

SMILES

Cn1c(-c2nn(CCCN3C(CCC(NCc(cc4)ccc4F)=O)=O)c3c2)ccc1

InChI

InChI=1S/C22H24FN5O2/c1-26-11-2-4-19(26)18-14-21-27(12-3-13-28(21)25-18)22(30)10-9-20(29)24-15-16-5-7-17(23)8-6-16/h2,4-8,11,14H,3,9-10,12-13,15H2,1H3,(H,24,29)

InChI Key

IHHPRCCISFWCOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.749

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-3.07

Polar Surface Area

54.314

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with E989-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-0763?
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What is the minimum amount of E989-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-0763
  • 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 E989-0763 available by request