D049-0258 Screening compound: 2-[(4-chlorophenoxy)methyl]-7-(2,3,5,6-tetrafluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine

D049-0258 Screening compound: 2-[(4-chlorophenoxy)methyl]-7-(2,3,5,6-tetrafluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
D049-0258 Screening compound: 2-[(4-chlorophenoxy)methyl]-7-(2,3,5,6-tetrafluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D049-0258
2-[(4-chlorophenoxy)methyl]-7-(2,3,5,6-tetrafluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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

D049-0258

Molecular Formula

C19H9ClF4N6O (C19 H9 ClF4 N6 O)

Compound Name

2-[(4-chlorophenoxy)methyl]-7-(2,3,5,6-tetrafluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-[(4-chlorophenoxy)methyl]-10-(2356-tetrafluorophenyl)-35681011-hexaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Fc(cc(c(F)c1-n2ncc3c2ncn2nc(COc(cc4)ccc4Cl)nc23)F)c1F

InChI

InChI=1S/C19H9ClF4N6O/c20-9-1-3-10(4-2-9)31-7-14-27-19-11-6-26-30(18(11)25-8-29(19)28-14)17-15(23)12(21)5-13(22)16(17)24/h1-6,8H,7H2

InChI Key

ZTPIWGVUGBIBIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.607

Distribution Coefficient, logD

4.607

Water Solubility, LogSw

-4.82

Polar Surface Area

52.329

Acid Dissociation Constant (pKa)

30.70

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D049-0258 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D049-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D049-0258?
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What is the minimum amount of D049-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D049-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D049-0258
  • 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 D049-0258 available by request