V029-4722 Screening compound: propan-2-yl 2-[(4-{[1-cyclobutyl-N-(propan-2-yl)formamido]methyl}phenoxy)sulfonyl]benzoate

V029-4722 Screening compound: propan-2-yl 2-[(4-{[1-cyclobutyl-N-(propan-2-yl)formamido]methyl}phenoxy)sulfonyl]benzoate
V029-4722 Screening compound: propan-2-yl 2-[(4-{[1-cyclobutyl-N-(propan-2-yl)formamido]methyl}phenoxy)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4722
propan-2-yl 2-[(4-{[1-cyclobutyl-N-(propan-2-yl)formamido]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

V029-4722

Molecular Formula

C25H31NO6S (C25 H31 NO6 S)

Compound Name

propan-2-yl 2-[(4-{[1-cyclobutyl-N-(propan-2-yl)formamido]methyl}phenoxy)sulfonyl]benzoate

IUPAC name

propan-2-yl 2-[(4-{[1-cyclobutyl-N-(propan-2-yl)formamido]methyl}phenoxy)sulfonyl]benzoate

SMILES

CC(C)N(Cc(cc1)ccc1OS(c(cccc1)c1C(OC(C)C)=O)(=O)=O)C(C1CCC1)=O

InChI

InChI=1S/C25H31NO6S/c1-17(2)26(24(27)20-8-7-9-20)16-19-12-14-21(15-13-19)32-33(29,30)23-11-6-5-10-22(23)25(28)31-18(3)4/h5-6,10-15,17-18,20H,7-9,16H2,1-4H3

InChI Key

PJLCRORXOLIKIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.033

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.17

Polar Surface Area

72.911

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

V029-4722 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 V029-4722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4722?
Check Price and Availability of V029-4722, 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 V029-4722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4722
  • 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 V029-4722 available by request