V017-0963 Screening compound: N~1~-(2-methoxyethyl)-N~1~-{2-[5-(1-methyl-1H-pyrrol-2-yl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-cyclobutanecarboxamide

V017-0963 Screening compound: N~1~-(2-methoxyethyl)-N~1~-{2-[5-(1-methyl-1H-pyrrol-2-yl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-cyclobutanecarboxamide
V017-0963 Screening compound: N~1~-(2-methoxyethyl)-N~1~-{2-[5-(1-methyl-1H-pyrrol-2-yl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-0963
N~1~-(2-methoxyethyl)-N~1~-{2-[5-(1-methyl-1H-pyrrol-2-yl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-cyclobutanecarboxamide

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

V017-0963

Molecular Formula

C22H28N4O3S (C22 H28 N4 O3 S)

Compound Name

N~1~-(2-methoxyethyl)-N~1~-{2-[5-(1-methyl-1H-pyrrol-2-yl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-cyclobutanecarboxamide

IUPAC name

N-(2-methoxyethyl)-N-{2-[5-(1-methyl-1H-pyrrol-2-yl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}cyclobutanecarboxamide

SMILES

Cn1c(C(C2)N(C(CN(CCOC)C(C3CCC3)=O)=O)N=C2c2cccs2)ccc1

InChI

InChI=1S/C22H28N4O3S/c1-24-10-4-8-18(24)19-14-17(20-9-5-13-30-20)23-26(19)21(27)15-25(11-12-29-2)22(28)16-6-3-7-16/h4-5,8-10,13,16,19H,3,6-7,11-12,14-15H2,1-2H3/t19-/m1/s1

InChI Key

YQRZRESSDGGYEH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19804337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

2.855

Water Solubility, LogSw

-2.86

Polar Surface Area

55.349

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V017-0963 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V017-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-0963?
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What is the minimum amount of V017-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-0963
  • 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 V017-0963 available by request