V010-1706 Screening compound: N-({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-cyclohexyl-3,3-dimethylbutanamide

V010-1706 Screening compound: N-({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-cyclohexyl-3,3-dimethylbutanamide
V010-1706 Screening compound: N-({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-cyclohexyl-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-1706
N-({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-cyclohexyl-3,3-dimethylbutanamide

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

V010-1706

Molecular Formula

C27H38N2O2S (C27 H38 N2 O2 S)

Compound Name

N-({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-cyclohexyl-3,3-dimethylbutanamide

IUPAC name

N-({benzyl[(3-methylthiophen-2-yl)methyl]carbamoyl}methyl)-N-cyclohexyl-33-dimethylbutanamide

SMILES

CC(C)(C)CC(N(CC(N(Cc1c(C)ccs1)Cc1ccccc1)=O)C1CCCCC1)=O

InChI

InChI=1S/C27H38N2O2S/c1-21-15-16-32-24(21)19-28(18-22-11-7-5-8-12-22)26(31)20-29(23-13-9-6-10-14-23)25(30)17-27(2,3)4/h5,7-8,11-12,15-16,23H,6,9-10,13-14,17-20H2,1-4H3

InChI Key

AAMSSLYDDQJARD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19767748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.112

Distribution Coefficient, logD

6.112

Water Solubility, LogSw

-5.28

Polar Surface Area

31.869

Acid Dissociation Constant (pKa)

23.44

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

V010-1706 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V010-1706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-1706?
Check Price and Availability of V010-1706, 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 V010-1706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-1706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-1706
  • 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 V010-1706 available by request