D359-0260 Screening compound: 11-(4-methoxyphenyl)-7,9-dimethyl-6-(2-thienyl)-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

D359-0260 Screening compound: 11-(4-methoxyphenyl)-7,9-dimethyl-6-(2-thienyl)-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
D359-0260 Screening compound: 11-(4-methoxyphenyl)-7,9-dimethyl-6-(2-thienyl)-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 D359-0260
11-(4-methoxyphenyl)-7,9-dimethyl-6-(2-thienyl)-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

D359-0260

Molecular Formula

C26H22N4O3S (C26 H22 N4 O3 S)

Compound Name

11-(4-methoxyphenyl)-7,9-dimethyl-6-(2-thienyl)-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

IUPAC name

17-(4-methoxyphenyl)-1214-dimethyl-9-(thiophen-2-yl)-181214-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-2(7)351016-pentaene-1315-dione

SMILES

CN(c(c(C(N1C)=O)c2-c(cc3)ccc3OC)c3n2-c(cccc2)c2NC3c2cccs2)C1=O

InChI

InChI=1S/C26H22N4O3S/c1-28-23-20(25(31)29(2)26(28)32)22(15-10-12-16(33-3)13-11-15)30-18-8-5-4-7-17(18)27-21(24(23)30)19-9-6-14-34-19/h4-14,21,27H,1-3H3/t21-/m0/s1

InChI Key

KWODTULBQXCOTG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14824372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.739

Distribution Coefficient, logD

4.739

Water Solubility, LogSw

-4.66

Polar Surface Area

52.590

Acid Dissociation Constant (pKa)

16.10

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

D359-0260 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D359-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D359-0260?
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What is the minimum amount of D359-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0260
  • 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 D359-0260 available by request