V030-6331 Screening compound: butyl 2-({4-[(1-cyclobutyl-N-cyclopropylformamido)methyl]phenoxy}sulfonyl)benzoate

V030-6331 Screening compound: butyl 2-({4-[(1-cyclobutyl-N-cyclopropylformamido)methyl]phenoxy}sulfonyl)benzoate
V030-6331 Screening compound: butyl 2-({4-[(1-cyclobutyl-N-cyclopropylformamido)methyl]phenoxy}sulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6331
butyl 2-({4-[(1-cyclobutyl-N-cyclopropylformamido)methyl]phenoxy}sulfonyl)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

V030-6331

Molecular Formula

C26H31NO6S (C26 H31 NO6 S)

Compound Name

butyl 2-({4-[(1-cyclobutyl-N-cyclopropylformamido)methyl]phenoxy}sulfonyl)benzoate

IUPAC name

butyl 2-({4-[(1-cyclobutyl-N-cyclopropylformamido)methyl]phenoxy}sulfonyl)benzoate

SMILES

CCCCOC(c(cccc1)c1S(Oc1ccc(CN(C2CC2)C(C2CCC2)=O)cc1)(=O)=O)=O

InChI

InChI=1S/C26H31NO6S/c1-2-3-17-32-26(29)23-9-4-5-10-24(23)34(30,31)33-22-15-11-19(12-16-22)18-27(21-13-14-21)25(28)20-7-6-8-20/h4-5,9-12,15-16,20-21H,2-3,6-8,13-14,17-18H2,1H3

InChI Key

JIBBVXHXHQDOQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

4.665

Water Solubility, LogSw

-4.53

Polar Surface Area

73.086

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

V030-6331 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V030-6331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6331?
Check Price and Availability of V030-6331, 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 V030-6331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6331
  • 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 V030-6331 available by request