V022-0042 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(butan-2-yl)acetamide

V022-0042 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(butan-2-yl)acetamide
V022-0042 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(butan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0042
2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(butan-2-yl)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

V022-0042

Molecular Formula

C27H31N3O7 (C27 H31 N3 O7)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(butan-2-yl)acetamide

IUPAC name

2-[(2H-13-benzodioxol-5-yl)formamido]-2-[1-(2H-13-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(butan-2-yl)acetamide

SMILES

CCC(C)NC(C(C(CC1)CCN1C(c(cc1)cc2c1OCO2)=O)NC(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C27H31N3O7/c1-3-16(2)28-26(32)24(29-25(31)18-4-6-20-22(12-18)36-14-34-20)17-8-10-30(11-9-17)27(33)19-5-7-21-23(13-19)37-15-35-21/h4-7,12-13,16-17,24H,3,8-11,14-15H2,1-2H3,(H,28,32)(H,29,31)

InChI Key

MEZSJLYYIKRJHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19875137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.071

Distribution Coefficient, logD

3.071

Water Solubility, LogSw

-3.30

Polar Surface Area

99.009

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with V022-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0042?
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What is the minimum amount of V022-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0042
  • 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 V022-0042 available by request