V005-2354 Screening compound: 7-[2-(2-{[(2-chloro-4-fluorobenzyl)oxy]methyl}morpholino)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

V005-2354 Screening compound: 7-[2-(2-{[(2-chloro-4-fluorobenzyl)oxy]methyl}morpholino)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
V005-2354 Screening compound: 7-[2-(2-{[(2-chloro-4-fluorobenzyl)oxy]methyl}morpholino)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2354
7-[2-(2-{[(2-chloro-4-fluorobenzyl)oxy]methyl}morpholino)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-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

V005-2354

Molecular Formula

C21H23ClFN5O5 (C21 H23 ClFN5 O5)

Compound Name

7-[2-(2-{[(2-chloro-4-fluorobenzyl)oxy]methyl}morpholino)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

n/a

SMILES

CN(c1c(C(N2C)=O)n(CC(N3CC(COCc(ccc(F)c4)c4Cl)OCC3)=O)cn1)C2=O

InChI

InChI=1S/C21H23ClFN5O5/c1-25-19-18(20(30)26(2)21(25)31)28(12-24-19)9-17(29)27-5-6-33-15(8-27)11-32-10-13-3-4-14(23)7-16(13)22/h3-4,7,12,15H,5-6,8-11H2,1-2H3/t15-/m1/s1

InChI Key

KUPGZIHHDSEVNB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD19962590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.256

Distribution Coefficient, logD

1.256

Water Solubility, LogSw

-2.54

Polar Surface Area

75.545

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with V005-2354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2354?
Check Price and Availability of V005-2354, 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 V005-2354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2354
  • 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 V005-2354 available by request