V031-1966 Screening compound: 5-{[(cyclopropylmethyl)[(2-methoxyphenyl)carbamoyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate

V031-1966 Screening compound: 5-{[(cyclopropylmethyl)[(2-methoxyphenyl)carbamoyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate
V031-1966 Screening compound: 5-{[(cyclopropylmethyl)[(2-methoxyphenyl)carbamoyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1966
5-{[(cyclopropylmethyl)[(2-methoxyphenyl)carbamoyl]amino]methyl}-2-methoxyphenyl ethane-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

V031-1966

Molecular Formula

C22H28N2O6S (C22 H28 N2 O6 S)

Compound Name

5-{[(cyclopropylmethyl)[(2-methoxyphenyl)carbamoyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate

IUPAC name

5-{[(cyclopropylmethyl)[(2-methoxyphenyl)carbamoyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc(CN(CC1CC1)C(Nc(cccc1)c1OC)=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C22H28N2O6S/c1-4-31(26,27)30-21-13-17(11-12-20(21)29-3)15-24(14-16-9-10-16)22(25)23-18-7-5-6-8-19(18)28-2/h5-8,11-13,16H,4,9-10,14-15H2,1-3H3,(H,23,25)

InChI Key

VXEXEGXNBXMJIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

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

3.572

Distribution Coefficient, logD

3.572

Water Solubility, LogSw

-3.75

Polar Surface Area

75.280

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V031-1966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1966?
Check Price and Availability of V031-1966, 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 V031-1966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1966
  • 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 V031-1966 available by request