V026-7831 Screening compound: 5-{[(tert-butylcarbamoyl)(propan-2-yl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

V026-7831 Screening compound: 5-{[(tert-butylcarbamoyl)(propan-2-yl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
V026-7831 Screening compound: 5-{[(tert-butylcarbamoyl)(propan-2-yl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-7831
5-{[(tert-butylcarbamoyl)(propan-2-yl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-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

V026-7831

Molecular Formula

C24H33N3O6S (C24 H33 N3 O6 S)

Compound Name

5-{[(tert-butylcarbamoyl)(propan-2-yl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

5-{[(tert-butylcarbamoyl)(propan-2-yl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(C)N(Cc(cc1)cc(OS(c(cc2)ccc2NC(C)=O)(=O)=O)c1OC)C(NC(C)(C)C)=O

InChI

InChI=1S/C24H33N3O6S/c1-16(2)27(23(29)26-24(4,5)6)15-18-8-13-21(32-7)22(14-18)33-34(30,31)20-11-9-19(10-12-20)25-17(3)28/h8-14,16H,15H2,1-7H3,(H,25,28)(H,26,29)

InChI Key

SYIVPXMQFNHUCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.80

Polar Surface Area

92.172

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

V026-7831 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 V026-7831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-7831?
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What is the minimum amount of V026-7831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-7831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-7831
  • 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 V026-7831 available by request