G881-0513 Screening compound: 3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(4-isopropylphenyl)benzamide

G881-0513 Screening compound: 3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(4-isopropylphenyl)benzamide
G881-0513 Screening compound: 3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(4-isopropylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G881-0513
3-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(4-isopropylphenyl)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

G881-0513

Molecular Formula

C27H24N4O2S (C27 H24 N4 O2 S)

Compound Name

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

SMILES

CC(C)c(cc1)ccc1NC(c1cccc(N(C=Nc2c3sc4nc(C)cc(C)c24)C3=O)c1)=O

InChI

InChI=1S/C27H24N4O2S/c1-15(2)18-8-10-20(11-9-18)30-25(32)19-6-5-7-21(13-19)31-14-28-23-22-16(3)12-17(4)29-26(22)34-24(23)27(31)33/h5-15H,1-4H3,(H,30,32)

InChI Key

SZEPZDXNGBOLTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.556

Water Solubility, LogSw

-5.80

Polar Surface Area

56.259

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

G881-0513 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 G881-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G881-0513?
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What is the minimum amount of G881-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G881-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G881-0513
  • 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 G881-0513 available by request