V029-2711 Screening compound: 2-{[(tert-butylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V029-2711 Screening compound: 2-{[(tert-butylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V029-2711 Screening compound: 2-{[(tert-butylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-2711
2-{[(tert-butylcarbamoyl)[(oxolan-2-yl)methyl]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

V029-2711

Molecular Formula

C28H38F3N3O5S (C28 H38 F3 N3 O5 S)

Compound Name

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

IUPAC name

2-{[(tert-butylcarbamoyl)[(oxolan-2-yl)methyl]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(CC2OCCC2)C(NC(C)(C)C)=O)cc1

InChI

InChI=1S/C28H38F3N3O5S/c1-6-33(7-2)22-14-13-20(18-34(19-23-11-9-15-38-23)26(35)32-27(3,4)5)25(17-22)39-40(36,37)24-12-8-10-21(16-24)28(29,30)31/h8,10,12-14,16-17,23H,6-7,9,11,15,18-19H2,1-5H3,(H,32,35)/t23-/m1/s1

InChI Key

SKMLCDIBUXAGHF-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD20499253

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

585.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.495

Distribution Coefficient, logD

5.484

Water Solubility, LogSw

-5.47

Polar Surface Area

72.655

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.60

V029-2711 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V029-2711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-2711?
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What is the minimum amount of V029-2711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-2711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-2711
  • 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 V029-2711 available by request