V027-2571 Screening compound: 3-({[(furan-2-yl)methyl][(propan-2-yl)carbamoyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V027-2571 Screening compound: 3-({[(furan-2-yl)methyl][(propan-2-yl)carbamoyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V027-2571 Screening compound: 3-({[(furan-2-yl)methyl][(propan-2-yl)carbamoyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-2571
3-({[(furan-2-yl)methyl][(propan-2-yl)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

V027-2571

Molecular Formula

C23H23F3N2O5S (C23 H23 F3 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(N(Cc1ccco1)Cc1cccc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1)=O

InChI

InChI=1S/C23H23F3N2O5S/c1-16(2)27-22(29)28(15-20-9-5-11-32-20)14-17-6-3-8-19(12-17)33-34(30,31)21-10-4-7-18(13-21)23(24,25)26/h3-13,16H,14-15H2,1-2H3,(H,27,29)

InChI Key

CINYCOFGOOOULV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.869

Distribution Coefficient, logD

4.869

Water Solubility, LogSw

-4.65

Polar Surface Area

69.077

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V027-2571 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V027-2571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-2571?
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What is the minimum amount of V027-2571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-2571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-2571
  • 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 V027-2571 available by request