V029-4783 Screening compound: 2-{[(tert-butylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate

V029-4783 Screening compound: 2-{[(tert-butylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
V029-4783 Screening compound: 2-{[(tert-butylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4783
2-{[(tert-butylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-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

V029-4783

Molecular Formula

C27H37Cl2N3O5S (C27 H37 Cl2 N3 O5 S)

Compound Name

2-{[(tert-butylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate

IUPAC name

2-{[(tert-butylcarbamoyl)[(oxolan-2-yl)methyl]amino]methyl}-5-(diethylamino)phenyl 34-dichlorobenzene-1-sulfonate

SMILES

CCN(CC)c1cc(OS(c(cc2)cc(Cl)c2Cl)(=O)=O)c(CN(CC2OCCC2)C(NC(C)(C)C)=O)cc1

InChI

InChI=1S/C27H37Cl2N3O5S/c1-6-31(7-2)20-11-10-19(17-32(18-21-9-8-14-36-21)26(33)30-27(3,4)5)25(15-20)37-38(34,35)22-12-13-23(28)24(29)16-22/h10-13,15-16,21H,6-9,14,17-18H2,1-5H3,(H,30,33)/t21-/m1/s1

InChI Key

UXPYZGXMNLNFCN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD20499322

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

586.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.912

Distribution Coefficient, logD

5.901

Water Solubility, LogSw

-6.09

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

51.90

References: we are preparing a list of scientific research reports with V029-4783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4783?
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What is the minimum amount of V029-4783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4783
  • 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 V029-4783 available by request