V001-0228 Screening compound: 2-methoxy-5-{[(propan-2-yl)[(propan-2-yl)carbamoyl]amino]methyl}phenyl 4-methoxybenzene-1-sulfonate

V001-0228 Screening compound: 2-methoxy-5-{[(propan-2-yl)[(propan-2-yl)carbamoyl]amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
V001-0228 Screening compound: 2-methoxy-5-{[(propan-2-yl)[(propan-2-yl)carbamoyl]amino]methyl}phenyl 4-methoxybenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-0228
2-methoxy-5-{[(propan-2-yl)[(propan-2-yl)carbamoyl]amino]methyl}phenyl 4-methoxybenzene-1-sulfonate

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

V001-0228

Molecular Formula

C22H30N2O6S (C22 H30 N2 O6 S)

Compound Name

2-methoxy-5-{[(propan-2-yl)[(propan-2-yl)carbamoyl]amino]methyl}phenyl 4-methoxybenzene-1-sulfonate

IUPAC name

2-methoxy-5-{[(propan-2-yl)[(propan-2-yl)carbamoyl]amino]methyl}phenyl 4-methoxybenzene-1-sulfonate

SMILES

CC(C)NC(N(Cc(cc1)cc(OS(c(cc2)ccc2OC)(=O)=O)c1OC)C(C)C)=O

InChI

InChI=1S/C22H30N2O6S/c1-15(2)23-22(25)24(16(3)4)14-17-7-12-20(29-6)21(13-17)30-31(26,27)19-10-8-18(28-5)9-11-19/h7-13,15-16H,14H2,1-6H3,(H,23,25)

InChI Key

VNFLRWDBJOWODW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19799728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-4.07

Polar Surface Area

76.604

Acid Dissociation Constant (pKa)

17.53

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

V001-0228 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V001-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-0228?
Check Price and Availability of V001-0228, 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 V001-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-0228
  • 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 V001-0228 available by request