C200-6000 Screening compound: 1-ethyl-6-[(4-fluorophenyl)methyl]-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

C200-6000 Screening compound: 1-ethyl-6-[(4-fluorophenyl)methyl]-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione
C200-6000 Screening compound: 1-ethyl-6-[(4-fluorophenyl)methyl]-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6000
1-ethyl-6-[(4-fluorophenyl)methyl]-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-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

C200-6000

Molecular Formula

C27H28F2N6O3 (C27 H28 F2 N6 O3)

Compound Name

1-ethyl-6-[(4-fluorophenyl)methyl]-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

IUPAC name

1-ethyl-6-[(4-fluorophenyl)methyl]-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1H4H5H6H7H-pyrazolo[43-d]pyrimidine-57-dione

SMILES

CCn1nc(C)c(N(CC(N(CC2)CCN2c(cccc2)c2F)=O)C(N2Cc(cc3)ccc3F)=O)c1C2=O

InChI

InChI=1S/C27H28F2N6O3/c1-3-35-25-24(18(2)30-35)33(27(38)34(26(25)37)16-19-8-10-20(28)11-9-19)17-23(36)32-14-12-31(13-15-32)22-7-5-4-6-21(22)29/h4-11H,3,12-17H2,1-2H3

InChI Key

HWPMKWRMRNMKAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.692

Distribution Coefficient, logD

2.692

Water Solubility, LogSw

-2.77

Polar Surface Area

65.695

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C200-6000 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 C200-6000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6000?
Check Price and Availability of C200-6000, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-6000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6000
  • 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 C200-6000 available by request