V006-4685 Screening compound: N-{2-[3-(1-methyl-1H-pyrrol-2-yl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide

V006-4685 Screening compound: N-{2-[3-(1-methyl-1H-pyrrol-2-yl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide
V006-4685 Screening compound: N-{2-[3-(1-methyl-1H-pyrrol-2-yl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4685
N-{2-[3-(1-methyl-1H-pyrrol-2-yl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide

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

V006-4685

Molecular Formula

C28H33N5O3S (C28 H33 N5 O3 S)

Compound Name

N-{2-[3-(1-methyl-1H-pyrrol-2-yl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide

IUPAC name

N-{2-[3-(1-methyl-1H-pyrrol-2-yl)-5-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide

SMILES

Cc1ccc(C(C2)N(C(CN(CCN3CCOCC3)C(c3cccs3)=O)=O)N=C2c2cccn2C)cc1

InChI

InChI=1S/C28H33N5O3S/c1-21-7-9-22(10-8-21)25-19-23(24-5-3-11-30(24)2)29-33(25)27(34)20-32(28(35)26-6-4-18-37-26)13-12-31-14-16-36-17-15-31/h3-11,18,25H,12-17,19-20H2,1-2H3/t25-/m0/s1

InChI Key

RHDRABXFLGAXBB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19803380

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-3.94

Polar Surface Area

58.103

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V006-4685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4685?
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What is the minimum amount of V006-4685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4685
  • 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 V006-4685 available by request