V002-1899 Screening compound: 4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide

V002-1899 Screening compound: 4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
V002-1899 Screening compound: 4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1899
4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-N-(2,4-dimethoxyphenyl)piperazine-1-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

V002-1899

Molecular Formula

C29H31ClF3N3O4 (C29 H31 ClF3 N3 O4)

Compound Name

4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide

IUPAC name

4-[2-(4-chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]-N-(24-dimethoxyphenyl)piperazine-1-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(N1CCN(CC(c(cc2)ccc2Cl)OCc2ccc(C(F)(F)F)cc2)CC1)=O

InChI

InChI=1S/C29H31ClF3N3O4/c1-38-24-11-12-25(26(17-24)39-2)34-28(37)36-15-13-35(14-16-36)18-27(21-5-9-23(30)10-6-21)40-19-20-3-7-22(8-4-20)29(31,32)33/h3-12,17,27H,13-16,18-19H2,1-2H3,(H,34,37)/t27-/m0/s1

InChI Key

BPHYKZSBWRUKFQ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19954771

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

578.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.812

Distribution Coefficient, logD

5.747

Water Solubility, LogSw

-6.29

Polar Surface Area

50.605

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

V002-1899 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V002-1899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1899?
Check Price and Availability of V002-1899, 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 V002-1899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1899
  • 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 V002-1899 available by request