C610-0513 Screening compound: methyl 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}propanoate

C610-0513 Screening compound: methyl 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}propanoate
C610-0513 Screening compound: methyl 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}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C610-0513
methyl 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}propanoate

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

C610-0513

Molecular Formula

C16H16N4O4S2 (C16 H16 N4 O4 S2)

Compound Name

methyl 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}propanoate

IUPAC name

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

SMILES

CC(C(OC)=O)Sc(nc(-c1cccs1)nc1N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C16H16N4O4S2/c1-8(15(22)24-4)26-13-10-12(19(2)16(23)20(3)14(10)21)17-11(18-13)9-6-5-7-25-9/h5-8H,1-4H3/t8-/m0/s1

InChI Key

NXACCDYWLCEXMY-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD04470726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.65

Polar Surface Area

73.248

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

C610-0513 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C610-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C610-0513?
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What is the minimum amount of C610-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C610-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C610-0513
  • 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 C610-0513 available by request