G700-0440 Screening compound: ethyl 3-({[4-ethyl-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-3-yl]carbonyl}amino)benzoate

G700-0440 Screening compound: ethyl 3-({[4-ethyl-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-3-yl]carbonyl}amino)benzoate
G700-0440 Screening compound: ethyl 3-({[4-ethyl-7-(4-methoxybenzyl)-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 G700-0440
ethyl 3-({[4-ethyl-7-(4-methoxybenzyl)-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

G700-0440

Molecular Formula

C29H31N5O5 (C29 H31 N5 O5)

Compound Name

ethyl 3-({[4-ethyl-7-(4-methoxybenzyl)-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-11-[(4-methoxyphenyl)methyl]-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(CCN(Cc(cc2)ccc2OC)C2)=C2C1=O

InChI

InChI=1S/C29H31N5O5/c1-4-33-25-13-14-32(17-19-9-11-22(38-3)12-10-19)18-24(25)28(36)34-27(33)23(16-30-34)26(35)31-21-8-6-7-20(15-21)29(37)39-5-2/h6-12,15-16H,4-5,13-14,17-18H2,1-3H3,(H,31,35)

InChI Key

UZBWRKSOIXMBSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

4.447

Water Solubility, LogSw

-4.07

Polar Surface Area

83.531

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

G700-0440 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G700-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G700-0440?
Check Price and Availability of G700-0440, 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 G700-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G700-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G700-0440
  • 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 G700-0440 available by request