V029-4104 Screening compound: propan-2-yl 2-[(4-{[1-(furan-2-yl)-N-(2-methoxyethyl)formamido]methyl}phenoxy)sulfonyl]benzoate

V029-4104 Screening compound: propan-2-yl 2-[(4-{[1-(furan-2-yl)-N-(2-methoxyethyl)formamido]methyl}phenoxy)sulfonyl]benzoate
V029-4104 Screening compound: propan-2-yl 2-[(4-{[1-(furan-2-yl)-N-(2-methoxyethyl)formamido]methyl}phenoxy)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4104
propan-2-yl 2-[(4-{[1-(furan-2-yl)-N-(2-methoxyethyl)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

V029-4104

Molecular Formula

C25H27NO8S (C25 H27 NO8 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(c(cccc1)c1S(Oc1ccc(CN(CCOC)C(c2ccco2)=O)cc1)(=O)=O)=O

InChI

InChI=1S/C25H27NO8S/c1-18(2)33-25(28)21-7-4-5-9-23(21)35(29,30)34-20-12-10-19(11-13-20)17-26(14-16-31-3)24(27)22-8-6-15-32-22/h4-13,15,18H,14,16-17H2,1-3H3

InChI Key

PXWDRELCQBJMSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.292

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-3.66

Polar Surface Area

89.543

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with V029-4104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4104?
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What is the minimum amount of V029-4104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4104
  • 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 V029-4104 available by request