V003-1852 Screening compound: 4-({[(furan-2-yl)methyl][(3-methoxyphenyl)carbamoyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V003-1852 Screening compound: 4-({[(furan-2-yl)methyl][(3-methoxyphenyl)carbamoyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V003-1852 Screening compound: 4-({[(furan-2-yl)methyl][(3-methoxyphenyl)carbamoyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1852
4-({[(furan-2-yl)methyl][(3-methoxyphenyl)carbamoyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-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

V003-1852

Molecular Formula

C27H23F3N2O6S (C27 H23 F3 N2 O6 S)

Compound Name

4-({[(furan-2-yl)methyl][(3-methoxyphenyl)carbamoyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

4-({[(furan-2-yl)methyl][(3-methoxyphenyl)carbamoyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

COc1cccc(NC(N(Cc2ccco2)Cc(cc2)ccc2OS(c2cc(C(F)(F)F)ccc2)(=O)=O)=O)c1

InChI

InChI=1S/C27H23F3N2O6S/c1-36-23-7-3-6-21(16-23)31-26(33)32(18-24-8-4-14-37-24)17-19-10-12-22(13-11-19)38-39(34,35)25-9-2-5-20(15-25)27(28,29)30/h2-16H,17-18H2,1H3,(H,31,33)

InChI Key

HESGYBZCMUQKKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19747013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.675

Distribution Coefficient, logD

5.675

Water Solubility, LogSw

-5.59

Polar Surface Area

76.053

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with V003-1852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1852?
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What is the minimum amount of V003-1852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1852
  • 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 V003-1852 available by request