V001-6780 Screening compound: 3-[3-(dimethylamino)phenyl]-1-(4-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate

V001-6780 Screening compound: 3-[3-(dimethylamino)phenyl]-1-(4-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate
V001-6780 Screening compound: 3-[3-(dimethylamino)phenyl]-1-(4-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6780
3-[3-(dimethylamino)phenyl]-1-(4-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]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

V001-6780

Molecular Formula

C33H26F4N4O3 (C33 H26 F4 N4 O3)

Compound Name

3-[3-(dimethylamino)phenyl]-1-(4-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate

IUPAC name

3-[3-(dimethylamino)phenyl]-1-(4-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate

SMILES

CC(Oc(n(-c(cc1)ccc1F)nc1-c2cc(N(C)C)ccc2)c1-c(cc1)ccc1NC(c1ccc(C(F)(F)F)cc1)=O)=O

InChI

InChI=1S/C33H26F4N4O3/c1-20(42)44-32-29(21-9-15-26(16-10-21)38-31(43)22-7-11-24(12-8-22)33(35,36)37)30(23-5-4-6-28(19-23)40(2)3)39-41(32)27-17-13-25(34)14-18-27/h4-19H,1-3H3,(H,38,43)

InChI Key

HDGSJPHFUPLVTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868407

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

602.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.397

Distribution Coefficient, logD

7.389

Water Solubility, LogSw

-5.83

Polar Surface Area

60.470

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

References: we are preparing a list of scientific research reports with V001-6780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6780?
Check Price and Availability of V001-6780, 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 V001-6780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6780
  • 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 V001-6780 available by request