G804-0904 Screening compound: 7-[(3-chloro-2-methylphenyl)amino]-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

G804-0904 Screening compound: 7-[(3-chloro-2-methylphenyl)amino]-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
G804-0904 Screening compound: 7-[(3-chloro-2-methylphenyl)amino]-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G804-0904
7-[(3-chloro-2-methylphenyl)amino]-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

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

G804-0904

Molecular Formula

C19H16ClN3OS (C19 H16 ClN3 OS)

Compound Name

7-[(3-chloro-2-methylphenyl)amino]-6-[(thiophen-2-yl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

IUPAC name

7-[(3-chloro-2-methylphenyl)amino]-6-[(thiophen-2-yl)methyl]-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

Cc(c(NC(c1ncccc11)N(Cc2cccs2)C1=O)ccc1)c1Cl

InChI

InChI=1S/C19H16ClN3OS/c1-12-15(20)7-2-8-16(12)22-18-17-14(6-3-9-21-17)19(24)23(18)11-13-5-4-10-25-13/h2-10,18,22H,11H2,1H3/t18-/m0/s1

InChI Key

PZAFBZRDDHWWLG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15037627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.628

Distribution Coefficient, logD

4.628

Water Solubility, LogSw

-4.73

Polar Surface Area

35.231

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

G804-0904 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with G804-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G804-0904?
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What is the minimum amount of G804-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G804-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G804-0904
  • 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 G804-0904 available by request