V025-8454 Screening compound: propan-2-yl 2-[(3-{[1-(2-fluorophenyl)-N-(2-methoxyethyl)formamido]methyl}phenoxy)sulfonyl]benzoate

V025-8454 Screening compound: propan-2-yl 2-[(3-{[1-(2-fluorophenyl)-N-(2-methoxyethyl)formamido]methyl}phenoxy)sulfonyl]benzoate
V025-8454 Screening compound: propan-2-yl 2-[(3-{[1-(2-fluorophenyl)-N-(2-methoxyethyl)formamido]methyl}phenoxy)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8454
propan-2-yl 2-[(3-{[1-(2-fluorophenyl)-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

V025-8454

Molecular Formula

C27H28FNO7S (C27 H28 FNO7 S)

Compound Name

propan-2-yl 2-[(3-{[1-(2-fluorophenyl)-N-(2-methoxyethyl)formamido]methyl}phenoxy)sulfonyl]benzoate

IUPAC name

propan-2-yl 2-[(3-{[1-(2-fluorophenyl)-N-(2-methoxyethyl)formamido]methyl}phenoxy)sulfonyl]benzoate

SMILES

CC(C)OC(c(cccc1)c1S(Oc1cc(CN(CCOC)C(c(cccc2)c2F)=O)ccc1)(=O)=O)=O

InChI

InChI=1S/C27H28FNO7S/c1-19(2)35-27(31)23-12-5-7-14-25(23)37(32,33)36-21-10-8-9-20(17-21)18-29(15-16-34-3)26(30)22-11-4-6-13-24(22)28/h4-14,17,19H,15-16,18H2,1-3H3

InChI Key

NBZFASHNDBGEPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.053

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-4.18

Polar Surface Area

80.965

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V025-8454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8454?
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What is the minimum amount of V025-8454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8454
  • 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 V025-8454 available by request