C883-0113 Screening compound: methyl 2-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]benzoate

C883-0113 Screening compound: methyl 2-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]benzoate
C883-0113 Screening compound: methyl 2-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0113
methyl 2-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]benzoate

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

C883-0113

Molecular Formula

C22H18N4O3 (C22 H18 N4 O3)

Compound Name

methyl 2-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]benzoate

IUPAC name

methyl 2-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]benzoate

SMILES

COC(c(cccc1)c1NC(c1c(-n2cccc2)n(-c2ccccc2)nc1)=O)=O

InChI

InChI=1S/C22H18N4O3/c1-29-22(28)17-11-5-6-12-19(17)24-20(27)18-15-23-26(16-9-3-2-4-10-16)21(18)25-13-7-8-14-25/h2-15H,1H3,(H,24,27)

InChI Key

VSKXVKUDPKOSKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.405

Water Solubility, LogSw

-4.30

Polar Surface Area

60.662

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with C883-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0113?
Check Price and Availability of C883-0113, 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 C883-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0113
  • 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 C883-0113 available by request