D359-0432 Screening compound: 6-(3-ethoxy-2-hydroxyphenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

D359-0432 Screening compound: 6-(3-ethoxy-2-hydroxyphenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
D359-0432 Screening compound: 6-(3-ethoxy-2-hydroxyphenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D359-0432
6-(3-ethoxy-2-hydroxyphenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

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

D359-0432

Molecular Formula

C23H22N4O4 (C23 H22 N4 O4)

Compound Name

6-(3-ethoxy-2-hydroxyphenyl)-7,9-dimethyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

IUPAC name

9-(3-ethoxy-2-hydroxyphenyl)-1214-dimethyl-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaene-1315-dione

SMILES

CCOc1cccc(C2Nc(cccc3)c3-n(cc3C(N4C)=O)c2c3N(C)C4=O)c1O

InChI

InChI=1S/C23H22N4O4/c1-4-31-17-11-7-8-13(21(17)28)18-20-19-14(22(29)26(3)23(30)25(19)2)12-27(20)16-10-6-5-9-15(16)24-18/h5-12,18,24,28H,4H2,1-3H3/t18-/m1/s1

InChI Key

VREXQTXIFLWAFQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14824424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.803

Distribution Coefficient, logD

3.803

Water Solubility, LogSw

-3.80

Polar Surface Area

68.278

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

D359-0432 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D359-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D359-0432?
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What is the minimum amount of D359-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0432
  • 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 D359-0432 available by request