V006-7633 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)carbamoyl](propyl)amino}-N-[(3-methylthiophen-2-yl)methyl]acetamide

V006-7633 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)carbamoyl](propyl)amino}-N-[(3-methylthiophen-2-yl)methyl]acetamide
V006-7633 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)carbamoyl](propyl)amino}-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-7633
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)carbamoyl](propyl)amino}-N-[(3-methylthiophen-2-yl)methyl]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

V006-7633

Molecular Formula

C27H31N3O4S (C27 H31 N3 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)carbamoyl](propyl)amino}-N-[(3-methylthiophen-2-yl)methyl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)carbamoyl](propyl)amino}-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

CCCN(CC(N(Cc1c(C)ccs1)Cc(cc1)cc2c1OCO2)=O)C(Nc1c(C)cccc1)=O

InChI

InChI=1S/C27H31N3O4S/c1-4-12-29(27(32)28-22-8-6-5-7-19(22)2)17-26(31)30(16-25-20(3)11-13-35-25)15-21-9-10-23-24(14-21)34-18-33-23/h5-11,13-14H,4,12,15-18H2,1-3H3,(H,28,32)

InChI Key

SEQOWNVXTDQIOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19762113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.030

Distribution Coefficient, logD

5.030

Water Solubility, LogSw

-4.62

Polar Surface Area

58.368

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V006-7633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-7633?
Check Price and Availability of V006-7633, 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 V006-7633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-7633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-7633
  • 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 V006-7633 available by request