V008-8414 Screening compound: 1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

V008-8414 Screening compound: 1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
V008-8414 Screening compound: 1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8414
1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

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

V008-8414

Molecular Formula

C28H28ClFN2O5 (C28 H28 ClFN2 O5)

Compound Name

1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

IUPAC name

1-(3-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(345-trimethoxyphenyl)pyrrolidine-3-carboxamide

SMILES

COc1cc(C(CN(C2)C(c3cccc(Cl)c3)=O)C2C(NCc(cc2)ccc2F)=O)cc(OC)c1OC

InChI

InChI=1S/C28H28ClFN2O5/c1-35-24-12-19(13-25(36-2)26(24)37-3)22-15-32(28(34)18-5-4-6-20(29)11-18)16-23(22)27(33)31-14-17-7-9-21(30)10-8-17/h4-13,22-23H,14-16H2,1-3H3,(H,31,33)

InChI Key

NVHNLIOIWSGBAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14261082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.777

Distribution Coefficient, logD

3.777

Water Solubility, LogSw

-4.36

Polar Surface Area

64.239

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

V008-8414 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cardiovascular Library (22201 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
  • 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 V008-8414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8414?
Check Price and Availability of V008-8414, 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 V008-8414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8414
  • 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 V008-8414 available by request