G881-0458 Screening compound: 3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[3-(2-furyl)propyl]benzamide

G881-0458 Screening compound: 3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[3-(2-furyl)propyl]benzamide
G881-0458 Screening compound: 3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[3-(2-furyl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G881-0458
3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[3-(2-furyl)propyl]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

G881-0458

Molecular Formula

C25H22N4O3S (C25 H22 N4 O3 S)

Compound Name

3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-[3-(2-furyl)propyl]benzamide

IUPAC name

3-{1113-dimethyl-6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl}-N-[3-(furan-2-yl)propyl]benzamide

SMILES

Cc1c(c(N=CN(c2cc(C(NCCCc3ccco3)=O)ccc2)C2=O)c2s2)c2nc(C)c1

InChI

InChI=1S/C25H22N4O3S/c1-15-12-16(2)28-24-20(15)21-22(33-24)25(31)29(14-27-21)18-7-3-6-17(13-18)23(30)26-10-4-8-19-9-5-11-32-19/h3,5-7,9,11-14H,4,8,10H2,1-2H3,(H,26,30)

InChI Key

DJBPGJUMJIAILD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.787

Distribution Coefficient, logD

3.787

Water Solubility, LogSw

-4.18

Polar Surface Area

65.172

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with G881-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0458?
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What is the minimum amount of G881-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0458
  • 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 G881-0458 available by request