V002-2512 Screening compound: 2-methoxy-5-{[N-(propan-2-yl)octanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V002-2512 Screening compound: 2-methoxy-5-{[N-(propan-2-yl)octanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V002-2512 Screening compound: 2-methoxy-5-{[N-(propan-2-yl)octanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-2512
2-methoxy-5-{[N-(propan-2-yl)octanamido]methyl}phenyl 3-(trifluoromethyl)benzene-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

V002-2512

Molecular Formula

C26H34F3NO5S (C26 H34 F3 NO5 S)

Compound Name

2-methoxy-5-{[N-(propan-2-yl)octanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

2-methoxy-5-{[N-(propan-2-yl)octanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CCCCCCCC(N(Cc(cc1)cc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1OC)C(C)C)=O

InChI

InChI=1S/C26H34F3NO5S/c1-5-6-7-8-9-13-25(31)30(19(2)3)18-20-14-15-23(34-4)24(16-20)35-36(32,33)22-12-10-11-21(17-22)26(27,28)29/h10-12,14-17,19H,5-9,13,18H2,1-4H3

InChI Key

UCSWWRROGDJYHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19747409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.514

Distribution Coefficient, logD

6.514

Water Solubility, LogSw

-5.66

Polar Surface Area

59.416

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V002-2512 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V002-2512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-2512?
Check Price and Availability of V002-2512, 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 V002-2512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-2512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-2512
  • 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 V002-2512 available by request