8013-3943 Screening compound: 1,3-dimethyl-5-phenylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione

8013-3943 Screening compound: 1,3-dimethyl-5-phenylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione
8013-3943 Screening compound: 1,3-dimethyl-5-phenylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3943
1,3-dimethyl-5-phenylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-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

8013-3943

Molecular Formula

C17H14N4O2 (C17 H14 N4 O2)

Compound Name

1,3-dimethyl-5-phenylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione

IUPAC name

35-dimethyl-8-phenyl-35910-tetraazatricyclo[7.4.0.0^{27}]trideca-171012-tetraene-46-dione

SMILES

CN(c(c(C(N1C)=O)c2-c3ccccc3)c3n2nccc3)C1=O

InChI

InChI=1S/C17H14N4O2/c1-19-15-12-9-6-10-18-21(12)14(11-7-4-3-5-8-11)13(15)16(22)20(2)17(19)23/h3-10H,1-2H3

InChI Key

BAQPWBDHJYWRBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.293

Distribution Coefficient, logD

2.293

Water Solubility, LogSw

-2.42

Polar Surface Area

43.485

Acid Dissociation Constant (pKa)

32.16

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

References: we are preparing a list of scientific research reports with 8013-3943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3943?
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What is the minimum amount of 8013-3943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3943
  • 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 8013-3943 available by request