V006-4849 Screening compound: 3-fluoro-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}benzamide

V006-4849 Screening compound: 3-fluoro-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}benzamide
V006-4849 Screening compound: 3-fluoro-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4849
3-fluoro-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}benzamide

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

V006-4849

Molecular Formula

C28H28FN5O5S (C28 H28 FN5 O5 S)

Compound Name

3-fluoro-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}benzamide

IUPAC name

3-fluoro-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}benzamide

SMILES

[O-][N+](c1cccc(C(C2)N(C(CN(CCN3CCOCC3)C(c3cc(F)ccc3)=O)=O)N=C2c2cccs2)c1)=O

InChI

InChI=1S/C28H28FN5O5S/c29-22-6-1-5-21(16-22)28(36)32(10-9-31-11-13-39-14-12-31)19-27(35)33-25(18-24(30-33)26-8-3-15-40-26)20-4-2-7-23(17-20)34(37)38/h1-8,15-17,25H,9-14,18-19H2/t25-/m1/s1

InChI Key

XESNUXJUZMIQEK-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19801151

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

565.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.521

Water Solubility, LogSw

-3.69

Polar Surface Area

89.068

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V006-4849 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V006-4849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4849?
Check Price and Availability of V006-4849, 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 V006-4849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4849
  • 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 V006-4849 available by request