V006-6852 Screening compound: N-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylacetamide

V006-6852 Screening compound: N-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylacetamide
V006-6852 Screening compound: N-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6852
N-{2-[5-(2,5-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylacetamide

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

V006-6852

Molecular Formula

C20H23N3O4S (C20 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-13(24)22(2)12-20(25)23-17(11-16(21-23)19-6-5-9-28-19)15-10-14(26-3)7-8-18(15)27-4/h5-10,17H,11-12H2,1-4H3/t17-/m1/s1

InChI Key

XHZMRILGRSDQAZ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD19804349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.785

Distribution Coefficient, logD

2.785

Water Solubility, LogSw

-3.12

Polar Surface Area

59.941

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with V006-6852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6852?
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What is the minimum amount of V006-6852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6852
  • 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 V006-6852 available by request