V030-7281 Screening compound: 2-fluoro-N-(2-methoxyethyl)-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}benzamide

V030-7281 Screening compound: 2-fluoro-N-(2-methoxyethyl)-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}benzamide
V030-7281 Screening compound: 2-fluoro-N-(2-methoxyethyl)-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 V030-7281
2-fluoro-N-(2-methoxyethyl)-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

V030-7281

Molecular Formula

C25H23FN4O5S (C25 H23 FN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COCCN(CC(N(C(C1)c2cc([N+]([O-])=O)ccc2)N=C1c1cccs1)=O)C(c(cccc1)c1F)=O

InChI

InChI=1S/C25H23FN4O5S/c1-35-12-11-28(25(32)19-8-2-3-9-20(19)26)16-24(31)29-22(15-21(27-29)23-10-5-13-36-23)17-6-4-7-18(14-17)30(33)34/h2-10,13-14,22H,11-12,15-16H2,1H3/t22-/m1/s1

InChI Key

TXHAQLMOJPPLKE-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19806624

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

510.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.17

Polar Surface Area

85.790

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with V030-7281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-7281?
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What is the minimum amount of V030-7281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-7281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-7281
  • 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 V030-7281 available by request