D359-0196 Screening compound: 7,9-dimethyl-11-(2-methylphenyl)-6-(2-thienyl)-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione

D359-0196 Screening compound: 7,9-dimethyl-11-(2-methylphenyl)-6-(2-thienyl)-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
D359-0196 Screening compound: 7,9-dimethyl-11-(2-methylphenyl)-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 D359-0196
7,9-dimethyl-11-(2-methylphenyl)-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

D359-0196

Molecular Formula

C26H22N4O2S (C26 H22 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c(n1-c(cccc2)c2NC(c2cccs2)c1c1N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C26H22N4O2S/c1-15-9-4-5-10-16(15)22-20-23(28(2)26(32)29(3)25(20)31)24-21(19-13-8-14-33-19)27-17-11-6-7-12-18(17)30(22)24/h4-14,21,27H,1-3H3/t21-/m0/s1

InChI Key

IKGBJRXJIDEBGX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD12034160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.102

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-5.00

Polar Surface Area

45.046

Acid Dissociation Constant (pKa)

16.10

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

D359-0196 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D359-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D359-0196?
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What is the minimum amount of D359-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D359-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D359-0196
  • 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 D359-0196 available by request