V029-1719 Screening compound: 2,2-dimethyl-1-(2-methyl-4-{[6-(1-phenylethyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}piperazino)-1-propanone

V029-1719 Screening compound: 2,2-dimethyl-1-(2-methyl-4-{[6-(1-phenylethyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}piperazino)-1-propanone
V029-1719 Screening compound: 2,2-dimethyl-1-(2-methyl-4-{[6-(1-phenylethyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}piperazino)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1719
2,2-dimethyl-1-(2-methyl-4-{[6-(1-phenylethyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}piperazino)-1-propanone

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

V029-1719

Molecular Formula

C25H31N3O2S (C25 H31 N3 O2 S)

Compound Name

2,2-dimethyl-1-(2-methyl-4-{[6-(1-phenylethyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}piperazino)-1-propanone

IUPAC name

22-dimethyl-1-{2-methyl-4-[6-(1-phenylethyl)-6H-thieno[23-b]pyrrole-5-carbonyl]piperazin-1-yl}propan-1-one

SMILES

CC(c1ccccc1)n1c(scc2)c2cc1C(N(CC1)CC(C)N1C(C(C)(C)C)=O)=O

InChI

InChI=1S/C25H31N3O2S/c1-17-16-26(12-13-27(17)24(30)25(3,4)5)22(29)21-15-20-11-14-31-23(20)28(21)18(2)19-9-7-6-8-10-19/h6-11,14-15,17-18H,12-13,16H2,1-5H3

InChI Key

OQNCFEXXKVHLGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842228

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

437.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.889

Distribution Coefficient, logD

4.889

Water Solubility, LogSw

-4.82

Polar Surface Area

34.836

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

V029-1719 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 V029-1719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1719?
Check Price and Availability of V029-1719, 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 V029-1719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1719
  • 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 V029-1719 available by request