5605-0003 Screening compound: 4-(ACETYLOXY)-3-{2-[2-(1H-INDOL-3-YL)ETHYL]-1,4-DIOXO-1H,2H,3H,4H,6H,7H,8H-PYRIDO[1,2-A]PYRAZIN-9-YL}PHENYL ACETATE

5605-0003 Screening compound: 4-(ACETYLOXY)-3-{2-[2-(1H-INDOL-3-YL)ETHYL]-1,4-DIOXO-1H,2H,3H,4H,6H,7H,8H-PYRIDO[1,2-A]PYRAZIN-9-YL}PHENYL ACETATE
5605-0003 Screening compound: 4-(ACETYLOXY)-3-{2-[2-(1H-INDOL-3-YL)ETHYL]-1,4-DIOXO-1H,2H,3H,4H,6H,7H,8H-PYRIDO[1,2-A]PYRAZIN-9-YL}PHENYL ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5605-0003
4-(ACETYLOXY)-3-{2-[2-(1H-INDOL-3-YL)ETHYL]-1,4-DIOXO-1H,2H,3H,4H,6H,7H,8H-PYRIDO[1,2-A]PYRAZIN-9-YL}PHENYL ACETATE

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

5605-0003

Molecular Formula

C28H27N3O6 (C28 H27 N3 O6)

Compound Name

4-(ACETYLOXY)-3-{2-[2-(1H-INDOL-3-YL)ETHYL]-1,4-DIOXO-1H,2H,3H,4H,6H,7H,8H-PYRIDO[1,2-A]PYRAZIN-9-YL}PHENYL ACETATE

IUPAC name

n/a

SMILES

CC(Oc(cc1)cc(C(CCC2)=C(C(N(CCc3c[nH]c4c3cccc4)C3)=O)N2C3=O)c1OC(C)=O)=O

InChI

InChI=1S/C28H27N3O6/c1-17(32)36-20-9-10-25(37-18(2)33)23(14-20)22-7-5-12-31-26(34)16-30(28(35)27(22)31)13-11-19-15-29-24-8-4-3-6-21(19)24/h3-4,6,8-10,14-15,29H,5,7,11-13,16H2,1-2H3

InChI Key

GVWLOCVNJNKCQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.333

Distribution Coefficient, logD

2.333

Water Solubility, LogSw

-3.11

Polar Surface Area

84.350

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 5605-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5605-0003?
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What is the minimum amount of 5605-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5605-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5605-0003
  • 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 5605-0003 available by request