V012-2216 Screening compound: ethyl 3-[butyl({[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)carbamoyl]propanoate

V012-2216 Screening compound: ethyl 3-[butyl({[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)carbamoyl]propanoate
V012-2216 Screening compound: ethyl 3-[butyl({[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-2216
ethyl 3-[butyl({[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)carbamoyl]propanoate

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

V012-2216

Molecular Formula

C28H40N2O6S (C28 H40 N2 O6 S)

Compound Name

ethyl 3-[butyl({[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)carbamoyl]propanoate

IUPAC name

ethyl 3-[butyl({[2-(34-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]carbamoyl}methyl)carbamoyl]propanoate

SMILES

CCCCN(CC(N(CCc(cc1)cc(OC)c1OC)Cc1ccc(C)s1)=O)C(CCC(OCC)=O)=O

InChI

InChI=1S/C28H40N2O6S/c1-6-8-16-29(26(31)13-14-28(33)36-7-2)20-27(32)30(19-23-11-9-21(3)37-23)17-15-22-10-12-24(34-4)25(18-22)35-5/h9-12,18H,6-8,13-17,19-20H2,1-5H3

InChI Key

FZYQTXWYERZESN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19766118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-4.09

Polar Surface Area

68.272

Acid Dissociation Constant (pKa)

23.44

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

References: we are preparing a list of scientific research reports with V012-2216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-2216?
Check Price and Availability of V012-2216, 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 V012-2216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-2216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-2216
  • 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 V012-2216 available by request