G700-0442 Screening compound: 4-ethyl-N~3~-(3-ethylphenyl)-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

G700-0442 Screening compound: 4-ethyl-N~3~-(3-ethylphenyl)-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide
G700-0442 Screening compound: 4-ethyl-N~3~-(3-ethylphenyl)-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G700-0442
4-ethyl-N~3~-(3-ethylphenyl)-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

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

G700-0442

Molecular Formula

C28H31N5O3 (C28 H31 N5 O3)

Compound Name

4-ethyl-N~3~-(3-ethylphenyl)-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide

IUPAC name

2-ethyl-N-(3-ethylphenyl)-11-[(4-methoxyphenyl)methyl]-8-oxo-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)35-triene-4-carboxamide

SMILES

CCc1cccc(NC(c(cnn23)c3N(CC)C(CCN(Cc(cc3)ccc3OC)C3)=C3C2=O)=O)c1

InChI

InChI=1S/C28H31N5O3/c1-4-19-7-6-8-21(15-19)30-26(34)23-16-29-33-27(23)32(5-2)25-13-14-31(18-24(25)28(33)35)17-20-9-11-22(36-3)12-10-20/h6-12,15-16H,4-5,13-14,17-18H2,1-3H3,(H,30,34)

InChI Key

MYIDEPRTLVUHIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.459

Distribution Coefficient, logD

4.456

Water Solubility, LogSw

-4.10

Polar Surface Area

62.777

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

G700-0442 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G700-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G700-0442?
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What is the minimum amount of G700-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G700-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G700-0442
  • 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 G700-0442 available by request