V014-5789 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-3,3-dimethyl-N-(propan-2-yl)butanamide

V014-5789 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-3,3-dimethyl-N-(propan-2-yl)butanamide
V014-5789 Screening compound: N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-3,3-dimethyl-N-(propan-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5789
N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-3,3-dimethyl-N-(propan-2-yl)butanamide

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

V014-5789

Molecular Formula

C25H34N2O4S (C25 H34 N2 O4 S)

Compound Name

N-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-3,3-dimethyl-N-(propan-2-yl)butanamide

IUPAC name

N-({[(2H-13-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-33-dimethyl-N-(propan-2-yl)butanamide

SMILES

CC(C)N(CC(N(Cc1c(C)ccs1)Cc(cc1)cc2c1OCO2)=O)C(CC(C)(C)C)=O

InChI

InChI=1S/C25H34N2O4S/c1-17(2)27(23(28)12-25(4,5)6)15-24(29)26(14-22-18(3)9-10-32-22)13-19-7-8-20-21(11-19)31-16-30-20/h7-11,17H,12-16H2,1-6H3

InChI Key

IFSHYQXTVIGPDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10460603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.963

Distribution Coefficient, logD

4.963

Water Solubility, LogSw

-4.75

Polar Surface Area

49.755

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

V014-5789 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V014-5789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5789?
Check Price and Availability of V014-5789, 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 V014-5789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5789
  • 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 V014-5789 available by request