G641-0055 Screening compound: 7-acetyl-2-[(3-nitrobenzyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

G641-0055 Screening compound: 7-acetyl-2-[(3-nitrobenzyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
G641-0055 Screening compound: 7-acetyl-2-[(3-nitrobenzyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G641-0055
7-acetyl-2-[(3-nitrobenzyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-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

G641-0055

Molecular Formula

C24H20N4O4S2 (C24 H20 N4 O4 S2)

Compound Name

7-acetyl-2-[(3-nitrobenzyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

11-acetyl-5-{[(3-nitrophenyl)methyl]sulfanyl}-4-phenyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(N(CC1)Cc2c1c(C(N(c1ccccc1)C(SCc1cc([N+]([O-])=O)ccc1)=N1)=O)c1s2)=O

InChI

InChI=1S/C24H20N4O4S2/c1-15(29)26-11-10-19-20(13-26)34-22-21(19)23(30)27(17-7-3-2-4-8-17)24(25-22)33-14-16-6-5-9-18(12-16)28(31)32/h2-9,12H,10-11,13-14H2,1H3

InChI Key

ADDVNRYWFORHCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-4.24

Polar Surface Area

75.493

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with G641-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G641-0055?
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What is the minimum amount of G641-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G641-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G641-0055
  • 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 G641-0055 available by request