V002-2499 Screening compound: 5-{[1-(4-butylphenyl)-N-(2-methoxyethyl)formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

V002-2499 Screening compound: 5-{[1-(4-butylphenyl)-N-(2-methoxyethyl)formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
V002-2499 Screening compound: 5-{[1-(4-butylphenyl)-N-(2-methoxyethyl)formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-2499
5-{[1-(4-butylphenyl)-N-(2-methoxyethyl)formamido]methyl}-2-methoxyphenyl 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

V002-2499

Molecular Formula

C29H32F3NO6S (C29 H32 F3 NO6 S)

Compound Name

5-{[1-(4-butylphenyl)-N-(2-methoxyethyl)formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

5-{[1-(4-butylphenyl)-N-(2-methoxyethyl)formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CCCCc(cc1)ccc1C(N(CCOC)Cc(cc1)cc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1OC)=O

InChI

InChI=1S/C29H32F3NO6S/c1-4-5-7-21-10-13-23(14-11-21)28(34)33(16-17-37-2)20-22-12-15-26(38-3)27(18-22)39-40(35,36)25-9-6-8-24(19-25)29(30,31)32/h6,8-15,18-19H,4-5,7,16-17,20H2,1-3H3

InChI Key

XYUYACNRFWSWNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19742425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.928

Distribution Coefficient, logD

5.928

Water Solubility, LogSw

-5.57

Polar Surface Area

68.249

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with V002-2499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-2499?
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What is the minimum amount of V002-2499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-2499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-2499
  • 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 V002-2499 available by request