D074-0118 Screening compound: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0118 Screening compound: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0118 Screening compound: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0118
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-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

D074-0118

Molecular Formula

C21H20BrN3O5 (C21 H20 BrN3 O5)

Compound Name

4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

COCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c(cc1OC)cc(Br)c1O)C2=O

InChI

InChI=1S/C21H20BrN3O5/c1-29-8-7-25-19(11-9-13(22)20(27)15(10-11)30-2)16-17(23-24-18(16)21(25)28)12-5-3-4-6-14(12)26/h3-6,9-10,19,26-27H,7-8H2,1-2H3,(H,23,24)/t19-/m1/s1

InChI Key

XQDBPKGBFSSDKB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06646686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.508

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.33

Polar Surface Area

88.389

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D074-0118 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D074-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0118?
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What is the minimum amount of D074-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0118
  • 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 D074-0118 available by request