V012-9712 Screening compound: (2R)-N-(2-{benzyl[(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide

V012-9712 Screening compound: (2R)-N-(2-{benzyl[(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide
V012-9712 Screening compound: (2R)-N-(2-{benzyl[(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9712
(2R)-N-(2-{benzyl[(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide

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

V012-9712

Molecular Formula

C29H34N2O3S (C29 H34 N2 O3 S)

Compound Name

(2R)-N-(2-{benzyl[(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide

IUPAC name

N-benzyl-2-[N-(3-methoxypropyl)-1-[(2R)-2-phenylcyclopropyl]formamido]-N-[(5-methylthiophen-2-yl)methyl]acetamide

SMILES

Cc1ccc(CN(Cc2ccccc2)C(CN(CCCOC)C(C(C2)C2c2ccccc2)=O)=O)s1

InChI

InChI=1S/C29H34N2O3S/c1-22-14-15-25(35-22)20-31(19-23-10-5-3-6-11-23)28(32)21-30(16-9-17-34-2)29(33)27-18-26(27)24-12-7-4-8-13-24/h3-8,10-15,26-27H,9,16-21H2,1-2H3/t26-,27?/m0/s1

InChI Key

HUZOUDYZZRAUFE-QBHOUYDASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.047

Distribution Coefficient, logD

5.047

Water Solubility, LogSw

-4.58

Polar Surface Area

41.724

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.93

V012-9712 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-9712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9712?
Check Price and Availability of V012-9712, 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 V012-9712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9712
  • 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 V012-9712 available by request