E961-1174 Screening compound: 4-[(2-CHLOROPHENYL)METHYL]-1-ETHYL-6-[(FURAN-2-YL)METHYL]-3-METHYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDINE-5,7-DIONE

E961-1174 Screening compound: 4-[(2-CHLOROPHENYL)METHYL]-1-ETHYL-6-[(FURAN-2-YL)METHYL]-3-METHYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDINE-5,7-DIONE
E961-1174 Screening compound: 4-[(2-CHLOROPHENYL)METHYL]-1-ETHYL-6-[(FURAN-2-YL)METHYL]-3-METHYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDINE-5,7-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-1174
4-[(2-CHLOROPHENYL)METHYL]-1-ETHYL-6-[(FURAN-2-YL)METHYL]-3-METHYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDINE-5,7-DIONE

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

E961-1174

Molecular Formula

C20H19ClN4O3 (C20 H19 ClN4 O3)

Compound Name

4-[(2-CHLOROPHENYL)METHYL]-1-ETHYL-6-[(FURAN-2-YL)METHYL]-3-METHYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDINE-5,7-DIONE

IUPAC name

n/a

SMILES

CCn1nc(C)c(N(Cc(cccc2)c2Cl)C(N2Cc3ccco3)=O)c1C2=O

InChI

InChI=1S/C20H19ClN4O3/c1-3-25-18-17(13(2)22-25)23(11-14-7-4-5-9-16(14)21)20(27)24(19(18)26)12-15-8-6-10-28-15/h4-10H,3,11-12H2,1-2H3

InChI Key

TYLPHHWZDJTJOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.32

Polar Surface Area

54.092

Acid Dissociation Constant (pKa)

28.35

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E961-1174 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E961-1174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-1174?
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What is the minimum amount of E961-1174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-1174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-1174
  • 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 E961-1174 available by request