C610-0487 Screening compound: 2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C610-0487 Screening compound: 2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
C610-0487 Screening compound: 2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C610-0487
2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-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

C610-0487

Molecular Formula

C17H15N7O3S3 (C17 H15 N7 O3 S3)

Compound Name

2-{[6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-{[68-dimethyl-57-dioxo-2-(thiophen-2-yl)-5H6H7H8H-[13]diazino[45-d]pyrimidin-4-yl]sulfanyl}-N-(5-methyl-134-thiadiazol-2-yl)acetamide

SMILES

Cc1nnc(NC(CSc2nc(-c3cccs3)nc(N(C)C(N3C)=O)c2C3=O)=O)s1

InChI

InChI=1S/C17H15N7O3S3/c1-8-21-22-16(30-8)18-10(25)7-29-14-11-13(23(2)17(27)24(3)15(11)26)19-12(20-14)9-5-4-6-28-9/h4-6H,7H2,1-3H3,(H,18,22,25)

InChI Key

QSDJSXFTWWIQBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04470701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.770

Distribution Coefficient, logD

2.724

Water Solubility, LogSw

-3.09

Polar Surface Area

98.303

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C610-0487 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C610-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C610-0487?
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What is the minimum amount of C610-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C610-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C610-0487
  • 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 C610-0487 available by request