8017-1219 Screening compound: 6-{4-[chloro(difluoro)methoxy]phenyl}-4-(4-hydroxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

8017-1219 Screening compound: 6-{4-[chloro(difluoro)methoxy]phenyl}-4-(4-hydroxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
8017-1219 Screening compound: 6-{4-[chloro(difluoro)methoxy]phenyl}-4-(4-hydroxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1219
6-{4-[chloro(difluoro)methoxy]phenyl}-4-(4-hydroxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-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

8017-1219

Molecular Formula

C20H16ClF2N3O4 (C20 H16 ClF2 N3 O4)

Compound Name

6-{4-[chloro(difluoro)methoxy]phenyl}-4-(4-hydroxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

6-[4-(chlorodifluoromethoxy)phenyl]-4-(4-hydroxyphenyl)-1-methyl-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CN(C(CN1c(cc2)ccc2OC(F)(F)Cl)=C(C(c(cc2)ccc2O)N2)C1=O)C2=O

InChI

InChI=1S/C20H16ClF2N3O4/c1-25-15-10-26(12-4-8-14(9-5-12)30-20(21,22)23)18(28)16(15)17(24-19(25)29)11-2-6-13(27)7-3-11/h2-9,17,27H,10H2,1H3,(H,24,29)/t17-/m1/s1

InChI Key

IWQYKCPWYLSARW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06014246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.763

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.55

Polar Surface Area

68.171

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8017-1219 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-1219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1219
  • 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 8017-1219 available by request