V008-2234 Screening compound: 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(thiophen-2-yl)ethyl]propanamide

V008-2234 Screening compound: 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(thiophen-2-yl)ethyl]propanamide
V008-2234 Screening compound: 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(thiophen-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2234
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(thiophen-2-yl)ethyl]propanamide

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

V008-2234

Molecular Formula

C29H29N3OS (C29 H29 N3 OS)

Compound Name

3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(thiophen-2-yl)ethyl]propanamide

IUPAC name

3-{1-[4-(cyanomethyl)phenyl]-5-(24-dimethylphenyl)-1H-pyrrol-2-yl}-N-[2-(thiophen-2-yl)ethyl]propanamide

SMILES

Cc(cc1)cc(C)c1-c1ccc(CCC(NCCc2cccs2)=O)n1-c1ccc(CC#N)cc1

InChI

InChI=1S/C29H29N3OS/c1-21-5-12-27(22(2)20-21)28-13-10-25(32(28)24-8-6-23(7-9-24)15-17-30)11-14-29(33)31-18-16-26-4-3-19-34-26/h3-10,12-13,19-20H,11,14-16,18H2,1-2H3,(H,31,33)

InChI Key

ATYQFUPYKXNGNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19961831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.355

Distribution Coefficient, logD

5.355

Water Solubility, LogSw

-5.22

Polar Surface Area

43.947

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

V008-2234 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V008-2234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2234?
Check Price and Availability of V008-2234, 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 V008-2234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2234
  • 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 V008-2234 available by request