V029-2647 Screening compound: 2-{[(tert-butylcarbamoyl)(2-methoxyethyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V029-2647 Screening compound: 2-{[(tert-butylcarbamoyl)(2-methoxyethyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V029-2647 Screening compound: 2-{[(tert-butylcarbamoyl)(2-methoxyethyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-2647
2-{[(tert-butylcarbamoyl)(2-methoxyethyl)amino]methyl}-5-(diethylamino)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

V029-2647

Molecular Formula

C26H36F3N3O5S (C26 H36 F3 N3 O5 S)

Compound Name

2-{[(tert-butylcarbamoyl)(2-methoxyethyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

2-{[(tert-butylcarbamoyl)(2-methoxyethyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CCN(CC)c1cc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c(CN(CCOC)C(NC(C)(C)C)=O)cc1

InChI

InChI=1S/C26H36F3N3O5S/c1-7-31(8-2)21-13-12-19(18-32(14-15-36-6)24(33)30-25(3,4)5)23(17-21)37-38(34,35)22-11-9-10-20(16-22)26(27,28)29/h9-13,16-17H,7-8,14-15,18H2,1-6H3,(H,30,33)

InChI Key

BRHDLQJFAGUBHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499247

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

559.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.300

Distribution Coefficient, logD

5.289

Water Solubility, LogSw

-5.40

Polar Surface Area

72.593

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V029-2647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-2647?
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What is the minimum amount of V029-2647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-2647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-2647
  • 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 V029-2647 available by request