V003-7729 Screening compound: 2-[1-(4-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)pyrrolidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

V003-7729 Screening compound: 2-[1-(4-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)pyrrolidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline
V003-7729 Screening compound: 2-[1-(4-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)pyrrolidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7729
2-[1-(4-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)pyrrolidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

V003-7729

Molecular Formula

C29H29ClN2O4 (C29 H29 ClN2 O4)

Compound Name

2-[1-(4-chlorobenzoyl)-4-(2,5-dimethoxyphenyl)pyrrolidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[1-(4-chlorobenzoyl)-4-(25-dimethoxyphenyl)pyrrolidine-3-carbonyl]-1234-tetrahydroisoquinoline

SMILES

COc(cc1)cc(C(CN(C2)C(c(cc3)ccc3Cl)=O)C2C(N(CC2)Cc3c2cccc3)=O)c1OC

InChI

InChI=1S/C29H29ClN2O4/c1-35-23-11-12-27(36-2)24(15-23)25-17-32(28(33)20-7-9-22(30)10-8-20)18-26(25)29(34)31-14-13-19-5-3-4-6-21(19)16-31/h3-12,15,25-26H,13-14,16-18H2,1-2H3

InChI Key

RBEANAVWQABJAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14262040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.952

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-5.20

Polar Surface Area

48.332

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.03

V003-7729 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V003-7729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7729?
Check Price and Availability of V003-7729, 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 V003-7729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7729
  • 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 V003-7729 available by request