V029-1979 Screening compound: 3-(4-chlorophenyl)-7-[(3,4-difluorophenyl)methyl]-1-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V029-1979 Screening compound: 3-(4-chlorophenyl)-7-[(3,4-difluorophenyl)methyl]-1-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V029-1979 Screening compound: 3-(4-chlorophenyl)-7-[(3,4-difluorophenyl)methyl]-1-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1979
3-(4-chlorophenyl)-7-[(3,4-difluorophenyl)methyl]-1-(3-methylbutyl)-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

V029-1979

Molecular Formula

C23H21ClF2N4O2 (C23 H21 ClF2 N4 O2)

Compound Name

3-(4-chlorophenyl)-7-[(3,4-difluorophenyl)methyl]-1-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-(4-chlorophenyl)-7-[(34-difluorophenyl)methyl]-1-(3-methylbutyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)CCN(C(c1c(N2c(cc3)ccc3Cl)ncn1Cc(cc1)cc(F)c1F)=O)C2=O

InChI

InChI=1S/C23H21ClF2N4O2/c1-14(2)9-10-29-22(31)20-21(30(23(29)32)17-6-4-16(24)5-7-17)27-13-28(20)12-15-3-8-18(25)19(26)11-15/h3-8,11,13-14H,9-10,12H2,1-2H3

InChI Key

ZOUDAJPKKUENMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904578

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-4.83

Polar Surface Area

42.524

Acid Dissociation Constant (pKa)

21.29

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V029-1979 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V029-1979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1979?
Check Price and Availability of V029-1979, 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 V029-1979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1979
  • 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 V029-1979 available by request