C610-0514 Screening compound: benzyl 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}acetate

C610-0514 Screening compound: benzyl 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}acetate
C610-0514 Screening compound: benzyl 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}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C610-0514
benzyl 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}acetate

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

C610-0514

Molecular Formula

C21H18N4O4S2 (C21 H18 N4 O4 S2)

Compound Name

benzyl 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}acetate

IUPAC name

benzyl 2-{[68-dimethyl-57-dioxo-2-(thiophen-2-yl)-5H6H7H8H-[13]diazino[45-d]pyrimidin-4-yl]sulfanyl}acetate

SMILES

CN(c1nc(-c2cccs2)nc(SCC(OCc2ccccc2)=O)c1C(N1C)=O)C1=O

InChI

InChI=1S/C21H18N4O4S2/c1-24-18-16(20(27)25(2)21(24)28)19(23-17(22-18)14-9-6-10-30-14)31-12-15(26)29-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3

InChI Key

ALLGKQJOOGJKJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04470727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.423

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.74

Polar Surface Area

72.337

Acid Dissociation Constant (pKa)

19.11

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C610-0514 in Drug Discovery

Included in Screening Libraries

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 C610-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C610-0514?
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What is the minimum amount of C610-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C610-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C610-0514
  • 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 C610-0514 available by request