V001-1856 Screening compound: N-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-[(3-chlorophenyl)methyl]-2-[N-(2-methoxyethyl)propane-1-sulfonamido]acetamide

V001-1856 Screening compound: N-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-[(3-chlorophenyl)methyl]-2-[N-(2-methoxyethyl)propane-1-sulfonamido]acetamide
V001-1856 Screening compound: N-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-[(3-chlorophenyl)methyl]-2-[N-(2-methoxyethyl)propane-1-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-1856
N-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-[(3-chlorophenyl)methyl]-2-[N-(2-methoxyethyl)propane-1-sulfonamido]acetamide

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

V001-1856

Molecular Formula

C28H36ClN3O7S (C28 H36 ClN3 O7 S)

Compound Name

N-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-[(3-chlorophenyl)methyl]-2-[N-(2-methoxyethyl)propane-1-sulfonamido]acetamide

IUPAC name

N-[1-(2H-13-benzodioxole-5-carbonyl)piperidin-4-yl]-N-[(3-chlorophenyl)methyl]-2-[N-(2-methoxyethyl)propane-1-sulfonamido]acetamide

SMILES

CCCS(N(CCOC)CC(N(Cc1cccc(Cl)c1)C(CC1)CCN1C(c(cc1)cc2c1OCO2)=O)=O)(=O)=O

InChI

InChI=1S/C28H36ClN3O7S/c1-3-15-40(35,36)31(13-14-37-2)19-27(33)32(18-21-5-4-6-23(29)16-21)24-9-11-30(12-10-24)28(34)22-7-8-25-26(17-22)39-20-38-25/h4-8,16-17,24H,3,9-15,18-20H2,1-2H3

InChI Key

YWOLOCXADCWMJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19970941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.13

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.45

Polar Surface Area

88.600

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V001-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-1856?
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What is the minimum amount of V001-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-1856
  • 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 V001-1856 available by request