D074-0268 Screening compound: 4-[4-(hexyloxy)phenyl]-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0268 Screening compound: 4-[4-(hexyloxy)phenyl]-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0268 Screening compound: 4-[4-(hexyloxy)phenyl]-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0268
4-[4-(hexyloxy)phenyl]-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

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

D074-0268

Molecular Formula

C31H33N3O3 (C31 H33 N3 O3)

Compound Name

4-[4-(hexyloxy)phenyl]-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-[4-(hexyloxy)phenyl]-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCCCCOc1ccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(CCc2ccccc2)C3=O)cc1

InChI

InChI=1S/C31H33N3O3/c1-2-3-4-10-21-37-24-17-15-23(16-18-24)30-27-28(25-13-8-9-14-26(25)35)32-33-29(27)31(36)34(30)20-19-22-11-6-5-7-12-22/h5-9,11-18,30,35H,2-4,10,19-21H2,1H3,(H,32,33)/t30-/m0/s1

InChI Key

FLMHQEXWMIAAHW-PMERELPUSA-N

MDL Number (MFCD)

MFCD06647697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.940

Distribution Coefficient, logD

7.928

Water Solubility, LogSw

-5.64

Polar Surface Area

64.083

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

D074-0268 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with D074-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0268?
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What is the minimum amount of D074-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0268
  • 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 D074-0268 available by request