V031-1978 Screening compound: 5-{[1-cyclobutyl-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

V031-1978 Screening compound: 5-{[1-cyclobutyl-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
V031-1978 Screening compound: 5-{[1-cyclobutyl-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1978
5-{[1-cyclobutyl-N-(propan-2-yl)formamido]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

V031-1978

Molecular Formula

C24H30N2O6S (C24 H30 N2 O6 S)

Compound Name

5-{[1-cyclobutyl-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

5-{[1-cyclobutyl-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(C)N(Cc(cc1)cc(OS(c(cc2)ccc2NC(C)=O)(=O)=O)c1OC)C(C1CCC1)=O

InChI

InChI=1S/C24H30N2O6S/c1-16(2)26(24(28)19-6-5-7-19)15-18-8-13-22(31-4)23(14-18)32-33(29,30)21-11-9-20(10-12-21)25-17(3)27/h8-14,16,19H,5-7,15H2,1-4H3,(H,25,27)

InChI Key

ASEYLEVFZFZHCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-3.18

Polar Surface Area

83.457

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with V031-1978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1978?
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What is the minimum amount of V031-1978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1978
  • 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 V031-1978 available by request