G804-0104 Screening compound: 7-[(3-bromophenyl)amino]-6-[(4-fluorophenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

G804-0104 Screening compound: 7-[(3-bromophenyl)amino]-6-[(4-fluorophenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
G804-0104 Screening compound: 7-[(3-bromophenyl)amino]-6-[(4-fluorophenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G804-0104
7-[(3-bromophenyl)amino]-6-[(4-fluorophenyl)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

G804-0104

Molecular Formula

C20H15BrFN3O (C20 H15 BrFN3 O)

Compound Name

7-[(3-bromophenyl)amino]-6-[(4-fluorophenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

IUPAC name

7-[(3-bromophenyl)amino]-6-[(4-fluorophenyl)methyl]-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

O=C(c1cccnc11)N(Cc(cc2)ccc2F)C1Nc1cccc(Br)c1

InChI

InChI=1S/C20H15BrFN3O/c21-14-3-1-4-16(11-14)24-19-18-17(5-2-10-23-18)20(26)25(19)12-13-6-8-15(22)9-7-13/h1-11,19,24H,12H2/t19-/m0/s1

InChI Key

PVWLRNIGCVVPGT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15037485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.26

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

4.340

Distribution Coefficient, logD

4.340

Water Solubility, LogSw

-4.44

Polar Surface Area

34.911

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

G804-0104 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G804-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G804-0104?
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What is the minimum amount of G804-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G804-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G804-0104
  • 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 G804-0104 available by request