V031-1948 Screening compound: propan-2-yl 2-[(3-{[(ethylcarbamoyl)(propan-2-yl)amino]methyl}phenoxy)sulfonyl]benzoate

V031-1948 Screening compound: propan-2-yl 2-[(3-{[(ethylcarbamoyl)(propan-2-yl)amino]methyl}phenoxy)sulfonyl]benzoate
V031-1948 Screening compound: propan-2-yl 2-[(3-{[(ethylcarbamoyl)(propan-2-yl)amino]methyl}phenoxy)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1948
propan-2-yl 2-[(3-{[(ethylcarbamoyl)(propan-2-yl)amino]methyl}phenoxy)sulfonyl]benzoate

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

V031-1948

Molecular Formula

C23H30N2O6S (C23 H30 N2 O6 S)

Compound Name

propan-2-yl 2-[(3-{[(ethylcarbamoyl)(propan-2-yl)amino]methyl}phenoxy)sulfonyl]benzoate

IUPAC name

propan-2-yl 2-[(3-{[(ethylcarbamoyl)(propan-2-yl)amino]methyl}phenoxy)sulfonyl]benzoate

SMILES

CCNC(N(Cc1cccc(OS(c(cccc2)c2C(OC(C)C)=O)(=O)=O)c1)C(C)C)=O

InChI

InChI=1S/C23H30N2O6S/c1-6-24-23(27)25(16(2)3)15-18-10-9-11-19(14-18)31-32(28,29)21-13-8-7-12-20(21)22(26)30-17(4)5/h7-14,16-17H,6,15H2,1-5H3,(H,24,27)

InChI Key

BBFRVPZPENRXNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-3.97

Polar Surface Area

82.428

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

V031-1948 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 V031-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1948?
Check Price and Availability of V031-1948, 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 V031-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1948
  • 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 V031-1948 available by request