V031-2020 Screening compound: 5-(diethylamino)-2-{[(ethylcarbamoyl)(2-methoxyethyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate

V031-2020 Screening compound: 5-(diethylamino)-2-{[(ethylcarbamoyl)(2-methoxyethyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
V031-2020 Screening compound: 5-(diethylamino)-2-{[(ethylcarbamoyl)(2-methoxyethyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2020
5-(diethylamino)-2-{[(ethylcarbamoyl)(2-methoxyethyl)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

V031-2020

Molecular Formula

C24H35N3O6S (C24 H35 N3 O6 S)

Compound Name

5-(diethylamino)-2-{[(ethylcarbamoyl)(2-methoxyethyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate

IUPAC name

5-(diethylamino)-2-{[(ethylcarbamoyl)(2-methoxyethyl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate

SMILES

CCNC(N(CCOC)Cc(ccc(N(CC)CC)c1)c1OS(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C24H35N3O6S/c1-6-25-24(28)27(15-16-31-4)18-19-9-10-20(26(7-2)8-3)17-23(19)33-34(29,30)22-13-11-21(32-5)12-14-22/h9-14,17H,6-8,15-16,18H2,1-5H3,(H,25,28)

InChI Key

HMVXOHHHWWDQME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19787829

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.562

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-3.79

Polar Surface Area

80.939

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with V031-2020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2020?
Check Price and Availability of V031-2020, 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 V031-2020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2020
  • 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 V031-2020 available by request