V012-0395 Screening compound: N-(2-{(3,4-dimethoxyphenethyl)[(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-isobutyl-1-cyclohexanecarboxamide

V012-0395 Screening compound: N-(2-{(3,4-dimethoxyphenethyl)[(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-isobutyl-1-cyclohexanecarboxamide
V012-0395 Screening compound: N-(2-{(3,4-dimethoxyphenethyl)[(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-isobutyl-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0395
N-(2-{(3,4-dimethoxyphenethyl)[(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-isobutyl-1-cyclohexanecarboxamide

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

V012-0395

Molecular Formula

C29H42N2O4S (C29 H42 N2 O4 S)

Compound Name

N-(2-{(3,4-dimethoxyphenethyl)[(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-isobutyl-1-cyclohexanecarboxamide

IUPAC name

2-[1-cyclohexyl-N-(2-methylpropyl)formamido]-N-[2-(34-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

CC(C)CN(CC(N(CCc(cc1)cc(OC)c1OC)Cc1c(C)ccs1)=O)C(C1CCCCC1)=O

InChI

InChI=1S/C29H42N2O4S/c1-21(2)18-31(29(33)24-9-7-6-8-10-24)20-28(32)30(19-27-22(3)14-16-36-27)15-13-23-11-12-25(34-4)26(17-23)35-5/h11-12,14,16-17,21,24H,6-10,13,15,18-20H2,1-5H3

InChI Key

RXHUXDJQLJCGSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19749101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.457

Distribution Coefficient, logD

5.457

Water Solubility, LogSw

-5.25

Polar Surface Area

48.583

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.62

References: we are preparing a list of scientific research reports with V012-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0395?
Check Price and Availability of V012-0395, 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 V012-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0395
  • 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 V012-0395 available by request