V008-8396 Screening compound: 1-{3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl}-3,3-dimethylbutan-1-one

V008-8396 Screening compound: 1-{3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl}-3,3-dimethylbutan-1-one
V008-8396 Screening compound: 1-{3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl}-3,3-dimethylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8396
1-{3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl}-3,3-dimethylbutan-1-one

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

V008-8396

Molecular Formula

C31H43N3O6 (C31 H43 N3 O6)

Compound Name

1-{3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl}-3,3-dimethylbutan-1-one

IUPAC name

1-{3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-(345-trimethoxyphenyl)pyrrolidin-1-yl}-33-dimethylbutan-1-one

SMILES

CC(C)(C)CC(N(CC1C(N(CC2)CCN2c(cccc2)c2OC)=O)CC1c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C31H43N3O6/c1-31(2,3)18-28(35)34-19-22(21-16-26(38-5)29(40-7)27(17-21)39-6)23(20-34)30(36)33-14-12-32(13-15-33)24-10-8-9-11-25(24)37-4/h8-11,16-17,22-23H,12-15,18-20H2,1-7H3

InChI Key

UDPJGKACKHXNNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14261138

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

553.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.42

Polar Surface Area

66.808

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.80

V008-8396 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V008-8396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8396?
Check Price and Availability of V008-8396, 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 V008-8396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8396
  • 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 V008-8396 available by request