6131-0102 Screening compound: 2-[8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

6131-0102 Screening compound: 2-[8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
6131-0102 Screening compound: 2-[8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6131-0102
2-[8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

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

6131-0102

Molecular Formula

C16H16N4O3S (C16 H16 N4 O3 S)

Compound Name

2-[8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

2-{55-dimethyl-15-oxo-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)12-pentaen-14-yl}acetamide

SMILES

CC(C)(C1)OCc(cc23)c1nc2sc1c3N=CN(CC(N)=O)C1=O

InChI

InChI=1S/C16H16N4O3S/c1-16(2)4-10-8(6-23-16)3-9-12-13(24-14(9)19-10)15(22)20(7-18-12)5-11(17)21/h3,7H,4-6H2,1-2H3,(H2,17,21)

InChI Key

BORBXYQXXUVYGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.986

Distribution Coefficient, logD

0.986

Water Solubility, LogSw

-1.90

Polar Surface Area

76.585

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

6131-0102 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6131-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6131-0102?
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What is the minimum amount of 6131-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6131-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6131-0102
  • 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 6131-0102 available by request