V014-5346 Screening compound: N-[4-(dimethylamino)-3-({N-[(oxolan-2-yl)methyl]-2-(thiophen-2-yl)acetamido}methyl)phenyl]-3-methylbutanamide

V014-5346 Screening compound: N-[4-(dimethylamino)-3-({N-[(oxolan-2-yl)methyl]-2-(thiophen-2-yl)acetamido}methyl)phenyl]-3-methylbutanamide
V014-5346 Screening compound: N-[4-(dimethylamino)-3-({N-[(oxolan-2-yl)methyl]-2-(thiophen-2-yl)acetamido}methyl)phenyl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5346
N-[4-(dimethylamino)-3-({N-[(oxolan-2-yl)methyl]-2-(thiophen-2-yl)acetamido}methyl)phenyl]-3-methylbutanamide

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

V014-5346

Molecular Formula

C25H35N3O3S (C25 H35 N3 O3 S)

Compound Name

N-[4-(dimethylamino)-3-({N-[(oxolan-2-yl)methyl]-2-(thiophen-2-yl)acetamido}methyl)phenyl]-3-methylbutanamide

IUPAC name

N-[4-(dimethylamino)-3-({N-[(oxolan-2-yl)methyl]-2-(thiophen-2-yl)acetamido}methyl)phenyl]-3-methylbutanamide

SMILES

CC(C)CC(Nc(cc1)cc(CN(CC2OCCC2)C(Cc2cccs2)=O)c1N(C)C)=O

InChI

InChI=1S/C25H35N3O3S/c1-18(2)13-24(29)26-20-9-10-23(27(3)4)19(14-20)16-28(17-21-7-5-11-31-21)25(30)15-22-8-6-12-32-22/h6,8-10,12,14,18,21H,5,7,11,13,15-17H2,1-4H3,(H,26,29)/t21-/m1/s1

InChI Key

KZFAXMJDLZQHOF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19806024

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.812

Water Solubility, LogSw

-4.00

Polar Surface Area

50.976

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

V014-5346 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V014-5346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5346?
Check Price and Availability of V014-5346, 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 V014-5346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5346
  • 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 V014-5346 available by request