G804-0934 Screening compound: 6-[(thiophen-2-yl)methyl]-7-{[4-(trifluoromethoxy)phenyl]amino}-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

G804-0934 Screening compound: 6-[(thiophen-2-yl)methyl]-7-{[4-(trifluoromethoxy)phenyl]amino}-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
G804-0934 Screening compound: 6-[(thiophen-2-yl)methyl]-7-{[4-(trifluoromethoxy)phenyl]amino}-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G804-0934
6-[(thiophen-2-yl)methyl]-7-{[4-(trifluoromethoxy)phenyl]amino}-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

G804-0934

Molecular Formula

C19H14F3N3O2S (C19 H14 F3 N3 O2 S)

Compound Name

6-[(thiophen-2-yl)methyl]-7-{[4-(trifluoromethoxy)phenyl]amino}-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

IUPAC name

6-[(thiophen-2-yl)methyl]-7-{[4-(trifluoromethoxy)phenyl]amino}-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

O=C(c1c2nccc1)N(Cc1cccs1)C2Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C19H14F3N3O2S/c20-19(21,22)27-13-7-5-12(6-8-13)24-17-16-15(4-1-9-23-16)18(26)25(17)11-14-3-2-10-28-14/h1-10,17,24H,11H2/t17-/m0/s1

InChI Key

SYZMKDUIECDGSF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15037642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.785

Distribution Coefficient, logD

4.785

Water Solubility, LogSw

-4.82

Polar Surface Area

41.866

Acid Dissociation Constant (pKa)

17.72

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

G804-0934 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with G804-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G804-0934?
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What is the minimum amount of G804-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G804-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G804-0934
  • 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 G804-0934 available by request