V006-4736 Screening compound: 2-chloro-N-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

V006-4736 Screening compound: 2-chloro-N-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide
V006-4736 Screening compound: 2-chloro-N-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4736
2-chloro-N-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]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

V006-4736

Molecular Formula

C29H31Cl2N5O3 (C29 H31 Cl2 N5 O3)

Compound Name

2-chloro-N-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

IUPAC name

2-chloro-N-{2-[5-(4-chlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

SMILES

Cn1c(C(CC2c(cc3)ccc3Cl)=NN2C(CN(CCN2CCOCC2)C(c(cccc2)c2Cl)=O)=O)ccc1

InChI

InChI=1S/C29H31Cl2N5O3/c1-33-12-4-7-26(33)25-19-27(21-8-10-22(30)11-9-21)36(32-25)28(37)20-35(14-13-34-15-17-39-18-16-34)29(38)23-5-2-3-6-24(23)31/h2-12,27H,13-20H2,1H3/t27-/m0/s1

InChI Key

BKQFOQQKGGOPIF-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19802021

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

568.5

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

4.523

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-4.68

Polar Surface Area

57.084

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with V006-4736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4736?
Check Price and Availability of V006-4736, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V006-4736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4736
  • 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 V006-4736 available by request