G857-1346 Screening compound: 1-[6-(4-methoxyphenyl)-3-phenyl-7-propanoyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]propan-1-one

G857-1346 Screening compound: 1-[6-(4-methoxyphenyl)-3-phenyl-7-propanoyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]propan-1-one
G857-1346 Screening compound: 1-[6-(4-methoxyphenyl)-3-phenyl-7-propanoyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-1346
1-[6-(4-methoxyphenyl)-3-phenyl-7-propanoyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]propan-1-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

G857-1346

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

1-[6-(4-methoxyphenyl)-3-phenyl-7-propanoyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]propan-1-one

IUPAC name

1-[6-(4-methoxyphenyl)-3-phenyl-7-propanoyl-5H-[124]triazolo[34-b][134]thiadiazin-5-yl]propan-1-one

SMILES

CCC(C(S1)=C(c(cc2)ccc2OC)N(C(CC)=O)n2c1nnc2-c1ccccc1)=O

InChI

InChI=1S/C23H22N4O3S/c1-4-18(28)21-20(15-11-13-17(30-3)14-12-15)26(19(29)5-2)27-22(24-25-23(27)31-21)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3

InChI Key

GQXXHJXRQCLQRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06733098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.280

Distribution Coefficient, logD

4.280

Water Solubility, LogSw

-4.28

Polar Surface Area

59.383

Acid Dissociation Constant (pKa)

19.20

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G857-1346 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G857-1346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1346?
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What is the minimum amount of G857-1346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1346
  • 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 G857-1346 available by request