V006-3805 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-{N-[(oxolan-2-yl)methyl]4-methylbenzenesulfonamido}acetamide

V006-3805 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-{N-[(oxolan-2-yl)methyl]4-methylbenzenesulfonamido}acetamide
V006-3805 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-{N-[(oxolan-2-yl)methyl]4-methylbenzenesulfonamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3805
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-{N-[(oxolan-2-yl)methyl]4-methylbenzenesulfonamido}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

V006-3805

Molecular Formula

C28H32N2O6S2 (C28 H32 N2 O6 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-{N-[(oxolan-2-yl)methyl]4-methylbenzenesulfonamido}acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-{N-[(oxolan-2-yl)methyl]4-methylbenzenesulfonamido}acetamide

SMILES

Cc1c(CN(Cc(cc2)cc3c2OCO3)C(CN(CC2OCCC2)S(c2ccc(C)cc2)(=O)=O)=O)scc1

InChI

InChI=1S/C28H32N2O6S2/c1-20-5-8-24(9-6-20)38(32,33)30(16-23-4-3-12-34-23)18-28(31)29(17-27-21(2)11-13-37-27)15-22-7-10-25-26(14-22)36-19-35-25/h5-11,13-14,23H,3-4,12,15-19H2,1-2H3/t23-/m1/s1

InChI Key

NFPDPGREXIILPJ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19761930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.422

Distribution Coefficient, logD

4.422

Water Solubility, LogSw

-4.31

Polar Surface Area

73.814

Acid Dissociation Constant (pKa)

21.86

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V006-3805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3805?
Check Price and Availability of V006-3805, 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 V006-3805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3805
  • 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 V006-3805 available by request