V006-6819 Screening compound: N-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-(2-methoxyethyl)benzamide

V006-6819 Screening compound: N-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-(2-methoxyethyl)benzamide
V006-6819 Screening compound: N-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6819
N-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-(2-methoxyethyl)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

V006-6819

Molecular Formula

C28H31N3O6S (C28 H31 N3 O6 S)

Compound Name

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

IUPAC name

N-{2-[5-(25-dimethoxyphenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-(2-methoxyethyl)benzamide

SMILES

COCCN(CC(N(C(C1)c(cc(cc2)OC)c2OC)N=C1c1cccs1)=O)C(c(cc1)ccc1OC)=O

InChI

InChI=1S/C28H31N3O6S/c1-34-14-13-30(28(33)19-7-9-20(35-2)10-8-19)18-27(32)31-24(17-23(29-31)26-6-5-15-38-26)22-16-21(36-3)11-12-25(22)37-4/h5-12,15-16,24H,13-14,17-18H2,1-4H3/t24-/m1/s1

InChI Key

MXHGHYGDAYORHC-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19800852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.135

Distribution Coefficient, logD

4.135

Water Solubility, LogSw

-4.27

Polar Surface Area

75.127

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V006-6819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6819?
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What is the minimum amount of V006-6819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6819
  • 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 V006-6819 available by request