V026-2901 Screening compound: 2-methoxy-5-({[(2-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V026-2901 Screening compound: 2-methoxy-5-({[(2-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V026-2901 Screening compound: 2-methoxy-5-({[(2-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-2901
2-methoxy-5-({[(2-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]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

V026-2901

Molecular Formula

C28H29F3N2O7S (C28 H29 F3 N2 O7 S)

Compound Name

2-methoxy-5-({[(2-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

2-methoxy-5-({[(2-methoxyphenyl)carbamoyl][(oxolan-2-yl)methyl]amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

COc(cccc1)c1NC(N(CC1OCCC1)Cc(cc1)cc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1OC)=O

InChI

InChI=1S/C28H29F3N2O7S/c1-37-24-11-4-3-10-23(24)32-27(34)33(18-21-8-6-14-39-21)17-19-12-13-25(38-2)26(15-19)40-41(35,36)22-9-5-7-20(16-22)28(29,30)31/h3-5,7,9-13,15-16,21H,6,8,14,17-18H2,1-2H3,(H,32,34)/t21-/m1/s1

InChI Key

HMTPOHOQZIBIFY-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD20499012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.684

Distribution Coefficient, logD

4.684

Water Solubility, LogSw

-4.51

Polar Surface Area

84.064

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V026-2901 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V026-2901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-2901?
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What is the minimum amount of V026-2901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-2901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-2901
  • 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 V026-2901 available by request