E989-0836 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

E989-0836 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
E989-0836 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-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 E989-0836
N-(2-chloro-4,6-dimethoxyphenyl)-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

E989-0836

Molecular Formula

C23H26ClN5O4 (C23 H26 ClN5 O4)

Compound Name

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

IUPAC name

N-(2-chloro-46-dimethoxyphenyl)-4-[2-(1-methyl-1H-pyrrol-2-yl)-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl]-4-oxobutanamide

SMILES

Cn1c(-c2nn(CCCN3C(CCC(Nc(c(OC)cc(OC)c4)c4Cl)=O)=O)c3c2)ccc1

InChI

InChI=1S/C23H26ClN5O4/c1-27-9-4-6-18(27)17-14-21-28(10-5-11-29(21)26-17)22(31)8-7-20(30)25-23-16(24)12-15(32-2)13-19(23)33-3/h4,6,9,12-14H,5,7-8,10-11H2,1-3H3,(H,25,30)

InChI Key

BHFCBUDQKBBKNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.990

Distribution Coefficient, logD

2.972

Water Solubility, LogSw

-3.50

Polar Surface Area

66.770

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

E989-0836 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E989-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E989-0836?
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What is the minimum amount of E989-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E989-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E989-0836
  • 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 E989-0836 available by request