V020-5085 Screening compound: (E)-N-allyl-N-{2-oxo-2-[4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-3-phenyl-2-propenamide

V020-5085 Screening compound: (E)-N-allyl-N-{2-oxo-2-[4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-3-phenyl-2-propenamide
V020-5085 Screening compound: (E)-N-allyl-N-{2-oxo-2-[4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-3-phenyl-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-5085
(E)-N-allyl-N-{2-oxo-2-[4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-3-phenyl-2-propenamide

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

V020-5085

Molecular Formula

C27H26N2O2S (C27 H26 N2 O2 S)

Compound Name

(E)-N-allyl-N-{2-oxo-2-[4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-3-phenyl-2-propenamide

IUPAC name

(2E)-N-(2-oxo-2-{4-phenyl-4H5H6H7H-thieno[32-c]pyridin-5-yl}ethyl)-3-phenyl-N-(prop-2-en-1-yl)prop-2-enamide

SMILES

C=CCN(CC(N(CCc1c2ccs1)C2c1ccccc1)=O)C(/C=C/c1ccccc1)=O

InChI

InChI=1S/C27H26N2O2S/c1-2-17-28(25(30)14-13-21-9-5-3-6-10-21)20-26(31)29-18-15-24-23(16-19-32-24)27(29)22-11-7-4-8-12-22/h2-14,16,19,27H,1,15,17-18,20H2/t27-/m1/s1

InChI Key

HHCPWTFUQURIKK-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19743120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.239

Distribution Coefficient, logD

5.239

Water Solubility, LogSw

-5.30

Polar Surface Area

32.286

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.52

V020-5085 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V020-5085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-5085?
Check Price and Availability of V020-5085, 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 V020-5085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-5085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-5085
  • 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 V020-5085 available by request