V006-6957 Screening compound: 5-[({[2,6-bis(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]-2-methoxyphenyl methanesulfonate

V006-6957 Screening compound: 5-[({[2,6-bis(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]-2-methoxyphenyl methanesulfonate
V006-6957 Screening compound: 5-[({[2,6-bis(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]-2-methoxyphenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6957
5-[({[2,6-bis(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]-2-methoxyphenyl methanesulfonate

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

V006-6957

Molecular Formula

C27H34N2O6S (C27 H34 N2 O6 S)

Compound Name

5-[({[2,6-bis(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]-2-methoxyphenyl methanesulfonate

IUPAC name

5-[({[26-bis(propan-2-yl)phenyl]carbamoyl}[(furan-2-yl)methyl]amino)methyl]-2-methoxyphenyl methanesulfonate

SMILES

CC(C)c1cccc(C(C)C)c1NC(N(Cc1ccco1)Cc(cc1)cc(OS(C)(=O)=O)c1OC)=O

InChI

InChI=1S/C27H34N2O6S/c1-18(2)22-10-7-11-23(19(3)4)26(22)28-27(30)29(17-21-9-8-14-34-21)16-20-12-13-24(33-5)25(15-20)35-36(6,31)32/h7-15,18-19H,16-17H2,1-6H3,(H,28,30)

InChI Key

NKGVDOGUCUTFBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19748020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.025

Distribution Coefficient, logD

4.025

Water Solubility, LogSw

-4.12

Polar Surface Area

75.218

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

-5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V006-6957 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V006-6957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6957?
Check Price and Availability of V006-6957, 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 V006-6957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6957
  • 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 V006-6957 available by request