V012-2457 Screening compound: 4-{[N-cyclopropyl-1-(naphthalen-1-yl)formamido]methyl}phenyl ethane-1-sulfonate

V012-2457 Screening compound: 4-{[N-cyclopropyl-1-(naphthalen-1-yl)formamido]methyl}phenyl ethane-1-sulfonate
V012-2457 Screening compound: 4-{[N-cyclopropyl-1-(naphthalen-1-yl)formamido]methyl}phenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-2457
4-{[N-cyclopropyl-1-(naphthalen-1-yl)formamido]methyl}phenyl 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

V012-2457

Molecular Formula

C23H23NO4S (C23 H23 NO4 S)

Compound Name

4-{[N-cyclopropyl-1-(naphthalen-1-yl)formamido]methyl}phenyl ethane-1-sulfonate

IUPAC name

4-{[N-cyclopropyl-1-(naphthalen-1-yl)formamido]methyl}phenyl ethane-1-sulfonate

SMILES

CCS(Oc1ccc(CN(C2CC2)C(c2cccc3ccccc23)=O)cc1)(=O)=O

InChI

InChI=1S/C23H23NO4S/c1-2-29(26,27)28-20-14-10-17(11-15-20)16-24(19-12-13-19)23(25)22-9-5-7-18-6-3-4-8-21(18)22/h3-11,14-15,19H,2,12-13,16H2,1H3

InChI Key

XBKZWIUJONKUIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.137

Distribution Coefficient, logD

4.137

Water Solubility, LogSw

-4.27

Polar Surface Area

50.591

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V012-2457 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with V012-2457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-2457?
Check Price and Availability of V012-2457, 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 V012-2457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-2457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-2457
  • 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 V012-2457 available by request