V029-8487 Screening compound: 2-{[(tert-butylcarbamoyl)(2-methylpropyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V029-8487 Screening compound: 2-{[(tert-butylcarbamoyl)(2-methylpropyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V029-8487 Screening compound: 2-{[(tert-butylcarbamoyl)(2-methylpropyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8487
2-{[(tert-butylcarbamoyl)(2-methylpropyl)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

V029-8487

Molecular Formula

C27H38F3N3O4S (C27 H38 F3 N3 O4 S)

Compound Name

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

IUPAC name

2-{[(tert-butylcarbamoyl)(2-methylpropyl)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(CC(C)C)C(NC(C)(C)C)=O)cc1

InChI

InChI=1S/C27H38F3N3O4S/c1-8-32(9-2)22-14-13-20(18-33(17-19(3)4)25(34)31-26(5,6)7)24(16-22)37-38(35,36)23-12-10-11-21(15-23)27(28,29)30/h10-16,19H,8-9,17-18H2,1-7H3,(H,31,34)

InChI Key

PDFSQVVPLXETTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499243

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

557.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.636

Distribution Coefficient, logD

6.626

Water Solubility, LogSw

-5.76

Polar Surface Area

64.272

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

References: we are preparing a list of scientific research reports with V029-8487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8487?
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What is the minimum amount of V029-8487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8487
  • 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 V029-8487 available by request