V002-1371 Screening compound: 4-{[1-(4-butoxyphenyl)-N-(propan-2-yl)formamido]methyl}phenyl methanesulfonate

V002-1371 Screening compound: 4-{[1-(4-butoxyphenyl)-N-(propan-2-yl)formamido]methyl}phenyl methanesulfonate
V002-1371 Screening compound: 4-{[1-(4-butoxyphenyl)-N-(propan-2-yl)formamido]methyl}phenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1371
4-{[1-(4-butoxyphenyl)-N-(propan-2-yl)formamido]methyl}phenyl 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

V002-1371

Molecular Formula

C22H29NO5S (C22 H29 NO5 S)

Compound Name

4-{[1-(4-butoxyphenyl)-N-(propan-2-yl)formamido]methyl}phenyl methanesulfonate

IUPAC name

4-{[1-(4-butoxyphenyl)-N-(propan-2-yl)formamido]methyl}phenyl methanesulfonate

SMILES

CCCCOc(cc1)ccc1C(N(Cc(cc1)ccc1OS(C)(=O)=O)C(C)C)=O

InChI

InChI=1S/C22H29NO5S/c1-5-6-15-27-20-13-9-19(10-14-20)22(24)23(17(2)3)16-18-7-11-21(12-8-18)28-29(4,25)26/h7-14,17H,5-6,15-16H2,1-4H3

InChI Key

AQXBZZVYLUBJCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19747376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.07

Polar Surface Area

59.760

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

V002-1371 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V002-1371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1371?
Check Price and Availability of V002-1371, 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 V002-1371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1371
  • 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 V002-1371 available by request