V003-4495 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide

V003-4495 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
V003-4495 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4495
2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]-N-(2-methoxyethyl)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

V003-4495

Molecular Formula

C25H31N3O8S (C25 H31 N3 O8 S)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)formamido]-2-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide

IUPAC name

2-[(2H-13-benzodioxol-5-yl)formamido]-2-[1-(4-methoxybenzenesulfonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide

SMILES

COCCNC(C(C(CC1)CCN1S(c(cc1)ccc1OC)(=O)=O)NC(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C25H31N3O8S/c1-33-14-11-26-25(30)23(27-24(29)18-3-8-21-22(15-18)36-16-35-21)17-9-12-28(13-10-17)37(31,32)20-6-4-19(34-2)5-7-20/h3-8,15,17,23H,9-14,16H2,1-2H3,(H,26,30)(H,27,29)/t23-/m0/s1

InChI Key

DELUHEVZIWHIDX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19876044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.255

Distribution Coefficient, logD

2.255

Water Solubility, LogSw

-3.00

Polar Surface Area

113.243

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V003-4495 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V003-4495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4495?
Check Price and Availability of V003-4495, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-4495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4495
  • 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 V003-4495 available by request