V026-7540 Screening compound: 2-{[N-(cyclopropylmethyl)-1-(furan-2-yl)formamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

V026-7540 Screening compound: 2-{[N-(cyclopropylmethyl)-1-(furan-2-yl)formamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
V026-7540 Screening compound: 2-{[N-(cyclopropylmethyl)-1-(furan-2-yl)formamido]methyl}phenyl 4-methoxybenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-7540
2-{[N-(cyclopropylmethyl)-1-(furan-2-yl)formamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

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

V026-7540

Molecular Formula

C23H23NO6S (C23 H23 NO6 S)

Compound Name

2-{[N-(cyclopropylmethyl)-1-(furan-2-yl)formamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

IUPAC name

2-{[N-(cyclopropylmethyl)-1-(furan-2-yl)formamido]methyl}phenyl 4-methoxybenzene-1-sulfonate

SMILES

COc(cc1)ccc1S(Oc1c(CN(CC2CC2)C(c2ccco2)=O)cccc1)(=O)=O

InChI

InChI=1S/C23H23NO6S/c1-28-19-10-12-20(13-11-19)31(26,27)30-21-6-3-2-5-18(21)16-24(15-17-8-9-17)23(25)22-7-4-14-29-22/h2-7,10-14,17H,8-9,15-16H2,1H3

InChI Key

XTFIAZDAAHRSFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.28

Polar Surface Area

68.671

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V026-7540 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V026-7540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-7540?
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What is the minimum amount of V026-7540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-7540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-7540
  • 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 V026-7540 available by request