V030-6274 Screening compound: 4-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 2-(dimethylsulfamoyl)benzene-1-sulfonate

V030-6274 Screening compound: 4-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 2-(dimethylsulfamoyl)benzene-1-sulfonate
V030-6274 Screening compound: 4-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 2-(dimethylsulfamoyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6274
4-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 2-(dimethylsulfamoyl)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

V030-6274

Molecular Formula

C25H34N2O7S2 (C25 H34 N2 O7 S2)

Compound Name

4-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 2-(dimethylsulfamoyl)benzene-1-sulfonate

IUPAC name

4-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 2-(dimethylsulfamoyl)benzene-1-sulfonate

SMILES

CC(C)CC(N(CC1OCCC1)Cc(cc1)ccc1OS(c(cccc1)c1S(N(C)C)(=O)=O)(=O)=O)=O

InChI

InChI=1S/C25H34N2O7S2/c1-19(2)16-25(28)27(18-22-8-7-15-33-22)17-20-11-13-21(14-12-20)34-36(31,32)24-10-6-5-9-23(24)35(29,30)26(3)4/h5-6,9-14,19,22H,7-8,15-18H2,1-4H3/t22-/m1/s1

InChI Key

AFUKGARPRFETIP-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD20498568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-2.91

Polar Surface Area

94.002

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

V030-6274 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 V030-6274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6274?
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What is the minimum amount of V030-6274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6274
  • 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 V030-6274 available by request