V006-4006 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3,3-diphenylpropyl)[(2-fluorophenyl)methyl]amino]methyl}-1,3-thiazole-4-carboxamide

V006-4006 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3,3-diphenylpropyl)[(2-fluorophenyl)methyl]amino]methyl}-1,3-thiazole-4-carboxamide
V006-4006 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3,3-diphenylpropyl)[(2-fluorophenyl)methyl]amino]methyl}-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4006
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3,3-diphenylpropyl)[(2-fluorophenyl)methyl]amino]methyl}-1,3-thiazole-4-carboxamide

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

V006-4006

Molecular Formula

C35H32FN3O3S (C35 H32 FN3 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3,3-diphenylpropyl)[(2-fluorophenyl)methyl]amino]methyl}-1,3-thiazole-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{[(33-diphenylpropyl)[(2-fluorophenyl)methyl]amino]methyl}-13-thiazole-4-carboxamide

SMILES

O=C(c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc(cccc2)c2F)n1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C35H32FN3O3S/c36-30-14-8-7-13-28(30)21-39(18-17-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27)22-34-38-31(23-43-34)35(40)37-20-25-15-16-32-33(19-25)42-24-41-32/h1-16,19,23,29H,17-18,20-22,24H2,(H,37,40)

InChI Key

DBMQIKWLZBWAPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19766722

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

593.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.329

Distribution Coefficient, logD

7.329

Water Solubility, LogSw

-6.06

Polar Surface Area

55.415

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V006-4006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4006?
Check Price and Availability of V006-4006, 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 V006-4006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4006
  • 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 V006-4006 available by request