3909-8691 Screening compound: 2-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)acetic acid

3909-8691 Screening compound: 2-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)acetic acid
3909-8691 Screening compound: 2-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-8691
2-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)acetic acid

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

3909-8691

Molecular Formula

C12H13N3O4S (C12 H13 N3 O4 S)

Compound Name

2-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)acetic acid

IUPAC name

2-(2-{56-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamido)acetic acid

SMILES

Cc1c(C)sc(N=CN2CC(NCC(O)=O)=O)c1C2=O

InChI

InChI=1S/C12H13N3O4S/c1-6-7(2)20-11-10(6)12(19)15(5-14-11)4-8(16)13-3-9(17)18/h5H,3-4H2,1-2H3,(H,13,16)(H,17,18)

InChI Key

OXWYAWKZPHYLLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03030535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.383

Distribution Coefficient, logD

-4.311

Water Solubility, LogSw

-1.55

Polar Surface Area

79.368

Acid Dissociation Constant (pKa)

3.47

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3909-8691 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3909-8691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-8691?
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What is the minimum amount of 3909-8691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-8691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-8691
  • 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 3909-8691 available by request