V026-4313 Screening compound: 5-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate

V026-4313 Screening compound: 5-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
V026-4313 Screening compound: 5-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-4313
5-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}-2-methoxyphenyl 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

V026-4313

Molecular Formula

C23H30Cl2N2O5S (C23 H30 Cl2 N2 O5 S)

Compound Name

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

IUPAC name

5-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}-2-methoxyphenyl 34-dichlorobenzene-1-sulfonate

SMILES

CCC(C)N(Cc(cc1)cc(OS(c(cc2)cc(Cl)c2Cl)(=O)=O)c1OC)C(NC(C)(C)C)=O

InChI

InChI=1S/C23H30Cl2N2O5S/c1-7-15(2)27(22(28)26-23(3,4)5)14-16-8-11-20(31-6)21(12-16)32-33(29,30)17-9-10-18(24)19(25)13-17/h8-13,15H,7,14H2,1-6H3,(H,26,28)/t15-/m0/s1

InChI Key

FZKTYAQOWKIJKJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD20499031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.737

Distribution Coefficient, logD

5.737

Water Solubility, LogSw

-5.96

Polar Surface Area

68.495

Acid Dissociation Constant (pKa)

17.26

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V026-4313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-4313?
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What is the minimum amount of V026-4313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-4313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-4313
  • 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 V026-4313 available by request