V021-5502 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V021-5502 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V021-5502 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5502
1-[(4-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-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

V021-5502

Molecular Formula

C29H24F4N4O2 (C29 H24 F4 N4 O2)

Compound Name

1-[(4-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-[(4-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)c(cc1)ccc1N(c1c(C(N2Cc(cc3)ccc3F)=O)n(Cc3ccc(C(F)(F)F)cc3)cn1)C2=O

InChI

InChI=1S/C29H24F4N4O2/c1-18(2)21-7-13-24(14-8-21)37-26-25(27(38)36(28(37)39)16-20-5-11-23(30)12-6-20)35(17-34-26)15-19-3-9-22(10-4-19)29(31,32)33/h3-14,17-18H,15-16H2,1-2H3

InChI Key

SDLQLOLBZKXBDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19919740

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

536.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.193

Distribution Coefficient, logD

6.193

Water Solubility, LogSw

-5.67

Polar Surface Area

42.274

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with V021-5502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5502?
Check Price and Availability of V021-5502, 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 V021-5502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5502
  • 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 V021-5502 available by request