8020-7035 Screening compound: 4-(3-chlorophenyl)-1-(2-furylmethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one

8020-7035 Screening compound: 4-(3-chlorophenyl)-1-(2-furylmethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
8020-7035 Screening compound: 4-(3-chlorophenyl)-1-(2-furylmethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7035
4-(3-chlorophenyl)-1-(2-furylmethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one

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

8020-7035

Molecular Formula

C17H14ClN3O2 (C17 H14 ClN3 O2)

Compound Name

4-(3-chlorophenyl)-1-(2-furylmethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(3-chlorophenyl)-1-[(furan-2-yl)methyl]-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

O=C(CC1c2cccc(Cl)c2)Nc2c1cnn2Cc1ccco1

InChI

InChI=1S/C17H14ClN3O2/c18-12-4-1-3-11(7-12)14-8-16(22)20-17-15(14)9-19-21(17)10-13-5-2-6-23-13/h1-7,9,14H,8,10H2,(H,20,22)/t14-/m1/s1

InChI Key

TYZSPIVKWBXACX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD22201992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.094

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.52

Polar Surface Area

46.351

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.65

8020-7035 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-7035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7035?
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What is the minimum amount of 8020-7035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7035
  • 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 8020-7035 available by request