G789-1553 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

G789-1553 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
G789-1553 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G789-1553
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-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

G789-1553

Molecular Formula

C21H16FN3O3S (C21 H16 FN3 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-(4-fluorophenyl)-3-methyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

Cc(c1c2sc(C(NCc(cc3)cc4c3OCO4)=O)c1)nn2-c(cc1)ccc1F

InChI

InChI=1S/C21H16FN3O3S/c1-12-16-9-19(29-21(16)25(24-12)15-5-3-14(22)4-6-15)20(26)23-10-13-2-7-17-18(8-13)28-11-27-17/h2-9H,10-11H2,1H3,(H,23,26)

InChI Key

VXBKZFWOYBSZNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08262859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.997

Distribution Coefficient, logD

3.997

Water Solubility, LogSw

-4.11

Polar Surface Area

56.542

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G789-1553 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G789-1553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G789-1553?
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What is the minimum amount of G789-1553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G789-1553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G789-1553
  • 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 G789-1553 available by request