G657-0440 Screening compound: ethyl 3-{[(4-ethyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-3-yl)carbonyl]amino}benzoate

G657-0440 Screening compound: ethyl 3-{[(4-ethyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-3-yl)carbonyl]amino}benzoate
G657-0440 Screening compound: ethyl 3-{[(4-ethyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-3-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G657-0440
ethyl 3-{[(4-ethyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-3-yl)carbonyl]amino}benzoate

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

G657-0440

Molecular Formula

C21H23N5O4 (C21 H23 N5 O4)

Compound Name

ethyl 3-{[(4-ethyl-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-3-yl)carbonyl]amino}benzoate

IUPAC name

ethyl 3-{2-ethyl-8-oxo-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)35-triene-4-amido}benzoate

SMILES

CCN(c(n1nc2)c2C(Nc2cc(C(OCC)=O)ccc2)=O)C(CCNC2)=C2C1=O

InChI

InChI=1S/C21H23N5O4/c1-3-25-17-8-9-22-11-15(17)20(28)26-19(25)16(12-23-26)18(27)24-14-7-5-6-13(10-14)21(29)30-4-2/h5-7,10,12,22H,3-4,8-9,11H2,1-2H3,(H,24,27)

InChI Key

KKYNAGOXIKZHOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27150092

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

1.911

Water Solubility, LogSw

-2.95

Polar Surface Area

84.405

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G657-0440 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G657-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G657-0440?
Check Price and Availability of G657-0440, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G657-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G657-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G657-0440
  • 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 G657-0440 available by request