C390-0111 Screening compound: methyl 4-[5-(4-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate

C390-0111 Screening compound: methyl 4-[5-(4-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate
C390-0111 Screening compound: methyl 4-[5-(4-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0111
methyl 4-[5-(4-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]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

C390-0111

Molecular Formula

C27H22BrN3O4 (C27 H22 BrN3 O4)

Compound Name

methyl 4-[5-(4-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate

IUPAC name

methyl 4-[5-(4-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1H4H5H6H-pyrrolo[34-c]pyrazol-4-yl]benzoate

SMILES

CCOc(cc1)ccc1-c1n[nH]c(C2=O)c1C(c(cc1)ccc1C(OC)=O)N2c(cc1)ccc1Br

InChI

InChI=1S/C27H22BrN3O4/c1-3-35-21-14-8-16(9-15-21)23-22-24(30-29-23)26(32)31(20-12-10-19(28)11-13-20)25(22)17-4-6-18(7-5-17)27(33)34-2/h4-15,25H,3H2,1-2H3,(H,29,30)/t25-/m1/s1

InChI Key

GXQQGWNGYKOVHQ-RUZDIDTESA-N

MDL Number (MFCD)

MFCD06196065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.981

Distribution Coefficient, logD

5.981

Water Solubility, LogSw

-5.65

Polar Surface Area

67.825

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

C390-0111 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C390-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0111?
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What is the minimum amount of C390-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0111
  • 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 C390-0111 available by request