V003-8005 Screening compound: 3-[3-(dimethylamino)phenyl]-1-(4-fluorophenyl)-4-[4-(2-methylpropanamido)phenyl]-1H-pyrazol-5-yl acetate

V003-8005 Screening compound: 3-[3-(dimethylamino)phenyl]-1-(4-fluorophenyl)-4-[4-(2-methylpropanamido)phenyl]-1H-pyrazol-5-yl acetate
V003-8005 Screening compound: 3-[3-(dimethylamino)phenyl]-1-(4-fluorophenyl)-4-[4-(2-methylpropanamido)phenyl]-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8005
3-[3-(dimethylamino)phenyl]-1-(4-fluorophenyl)-4-[4-(2-methylpropanamido)phenyl]-1H-pyrazol-5-yl acetate

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

V003-8005

Molecular Formula

C29H29FN4O3 (C29 H29 FN4 O3)

Compound Name

3-[3-(dimethylamino)phenyl]-1-(4-fluorophenyl)-4-[4-(2-methylpropanamido)phenyl]-1H-pyrazol-5-yl acetate

IUPAC name

3-[3-(dimethylamino)phenyl]-1-(4-fluorophenyl)-4-[4-(2-methylpropanamido)phenyl]-1H-pyrazol-5-yl acetate

SMILES

CC(C)C(Nc(cc1)ccc1-c(c(-c1cc(N(C)C)ccc1)nn1-c(cc2)ccc2F)c1OC(C)=O)=O

InChI

InChI=1S/C29H29FN4O3/c1-18(2)28(36)31-23-13-9-20(10-14-23)26-27(21-7-6-8-25(17-21)33(4)5)32-34(29(26)37-19(3)35)24-15-11-22(30)12-16-24/h6-18H,1-5H3,(H,31,36)

InChI Key

AYTADJOXNLHTHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868409

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.864

Distribution Coefficient, logD

5.857

Water Solubility, LogSw

-5.57

Polar Surface Area

60.741

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V003-8005 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V003-8005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8005?
Check Price and Availability of V003-8005, 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 V003-8005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8005
  • 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 V003-8005 available by request