G647-3235 Screening compound: 4-methoxy-N-{5-[({7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

G647-3235 Screening compound: 4-methoxy-N-{5-[({7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
G647-3235 Screening compound: 4-methoxy-N-{5-[({7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G647-3235
4-methoxy-N-{5-[({7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

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

G647-3235

Molecular Formula

C16H13N7O3S2 (C16 H13 N7 O3 S2)

Compound Name

4-methoxy-N-{5-[({7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

4-methoxy-N-{5-[({7-oxo-3H7H-[124]triazolo[15-a]pyrimidin-5-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}benzamide

SMILES

COc(cc1)ccc1C(Nc1nnc(SCC(N=C2N3N=CN2)=CC3=O)s1)=O

InChI

InChI=1S/C16H13N7O3S2/c1-26-11-4-2-9(3-5-11)13(25)20-15-21-22-16(28-15)27-7-10-6-12(24)23-14(19-10)17-8-18-23/h2-6,8H,7H2,1H3,(H,17,18,19)(H,20,21,25)

InChI Key

AMTCVHWOOBNKQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.615

Distribution Coefficient, logD

1.615

Water Solubility, LogSw

-2.40

Polar Surface Area

106.349

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

-5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G647-3235 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G647-3235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G647-3235?
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What is the minimum amount of G647-3235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G647-3235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G647-3235
  • 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 G647-3235 available by request