V023-8439 Screening compound: methyl 4-{[1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

V023-8439 Screening compound: methyl 4-{[1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate
V023-8439 Screening compound: methyl 4-{[1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-8439
methyl 4-{[1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

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

V023-8439

Molecular Formula

C28H32N4O4 (C28 H32 N4 O4)

Compound Name

methyl 4-{[1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

IUPAC name

methyl 4-{[1-(3-methylbutyl)-26-dioxo-3-[4-(propan-2-yl)phenyl]-2367-tetrahydro-1H-purin-7-yl]methyl}benzoate

SMILES

CC(C)CCN(C(c1c(N2c3ccc(C(C)C)cc3)ncn1Cc(cc1)ccc1C(OC)=O)=O)C2=O

InChI

InChI=1S/C28H32N4O4/c1-18(2)14-15-31-26(33)24-25(32(28(31)35)23-12-10-21(11-13-23)19(3)4)29-17-30(24)16-20-6-8-22(9-7-20)27(34)36-5/h6-13,17-19H,14-16H2,1-5H3

InChI Key

BLKMWBJGGKJTRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904981

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.413

Distribution Coefficient, logD

5.413

Water Solubility, LogSw

-5.49

Polar Surface Area

63.698

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V023-8439 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 V023-8439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-8439?
Check Price and Availability of V023-8439, 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 V023-8439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-8439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-8439
  • 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 V023-8439 available by request