4477-2039 Screening compound: 3-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzoate

4477-2039 Screening compound: 3-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzoate
4477-2039 Screening compound: 3-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-2039
3-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzoate

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

4477-2039

Molecular Formula

C30H23N3O5 (C30 H23 N3 O5)

Compound Name

3-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzoate

IUPAC name

3-{57-dimethyl-4617-trioxo-579-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)3(8)11(16)1214-pentaen-2-yl}phenyl 4-methylbenzoate

SMILES

Cc(cc1)ccc1C(Oc1cccc(C(C(C(c2c3cccc2)=O)=C3N2)C(C(N3C)=O)=C2N(C)C3=O)c1)=O

InChI

InChI=1S/C30H23N3O5/c1-16-11-13-17(14-12-16)29(36)38-19-8-6-7-18(15-19)22-23-25(20-9-4-5-10-21(20)26(23)34)31-27-24(22)28(35)33(3)30(37)32(27)2/h4-15,22,31H,1-3H3/t22-/m0/s1

InChI Key

TXJBEAFMZKLGJI-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01949152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.414

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-4.41

Polar Surface Area

75.888

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

-8.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 4477-2039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-2039?
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What is the minimum amount of 4477-2039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-2039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-2039
  • 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 4477-2039 available by request