V021-2312 Screening compound: N-{2-[3,5-bis(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-methoxy-N-methylacetamide

V021-2312 Screening compound: N-{2-[3,5-bis(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-methoxy-N-methylacetamide
V021-2312 Screening compound: N-{2-[3,5-bis(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-methoxy-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2312
N-{2-[3,5-bis(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-methoxy-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

V021-2312

Molecular Formula

C17H19N3O3S2 (C17 H19 N3 O3 S2)

Compound Name

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

IUPAC name

N-{2-[35-bis(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-methoxy-N-methylacetamide

SMILES

CN(CC(N(C(C1)c2cccs2)N=C1c1cccs1)=O)C(COC)=O

InChI

InChI=1S/C17H19N3O3S2/c1-19(17(22)11-23-2)10-16(21)20-13(15-6-4-8-25-15)9-12(18-20)14-5-3-7-24-14/h3-8,13H,9-11H2,1-2H3/t13-/m1/s1

InChI Key

BBXZUVDHTKKAQY-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD19800655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.097

Distribution Coefficient, logD

2.097

Water Solubility, LogSw

-2.63

Polar Surface Area

53.214

Acid Dissociation Constant (pKa)

21.24

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

V021-2312 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-2312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2312?
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What is the minimum amount of V021-2312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2312
  • 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 V021-2312 available by request