6186-0859 Screening compound: 1,3-dimethyl-5-(4-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl propionate

6186-0859 Screening compound: 1,3-dimethyl-5-(4-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl propionate
6186-0859 Screening compound: 1,3-dimethyl-5-(4-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl propionate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-0859
1,3-dimethyl-5-(4-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl propionate

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

6186-0859

Molecular Formula

C25H20N4O6 (C25 H20 N4 O6)

Compound Name

1,3-dimethyl-5-(4-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl propionate

IUPAC name

57-dimethyl-2-(4-nitrophenyl)-46-dioxo-579-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(17)3(8)9111315-hexaen-17-yl propanoate

SMILES

CCC(OC(c1c2cccc1)=C(C1c(cc3)ccc3[N+]([O-])=O)C2=NC(N(C)C(N2C)=O)=C1C2=O)=O

InChI

InChI=1S/C25H20N4O6/c1-4-17(30)35-22-16-8-6-5-7-15(16)21-19(22)18(13-9-11-14(12-10-13)29(33)34)20-23(26-21)27(2)25(32)28(3)24(20)31/h5-12,18H,4H2,1-3H3/t18-/m1/s1

InChI Key

ZCCAOVOPSWYDSU-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01795924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

3.385

Water Solubility, LogSw

-3.91

Polar Surface Area

92.348

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 6186-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-0859?
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What is the minimum amount of 6186-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-0859
  • 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 6186-0859 available by request