C610-0063 Screening compound: ethyl 2-({2,6,8-trimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)butanoate

C610-0063 Screening compound: ethyl 2-({2,6,8-trimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)butanoate
C610-0063 Screening compound: ethyl 2-({2,6,8-trimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C610-0063
ethyl 2-({2,6,8-trimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)butanoate

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

C610-0063

Molecular Formula

C15H20N4O4S (C15 H20 N4 O4 S)

Compound Name

ethyl 2-({2,6,8-trimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl}sulfanyl)butanoate

IUPAC name

ethyl 2-({268-trimethyl-57-dioxo-5H6H7H8H-[13]diazino[45-d]pyrimidin-4-yl}sulfanyl)butanoate

SMILES

CCC(C(OCC)=O)Sc1nc(C)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C15H20N4O4S/c1-6-9(14(21)23-7-2)24-12-10-11(16-8(3)17-12)18(4)15(22)19(5)13(10)20/h9H,6-7H2,1-5H3/t9-/m0/s1

InChI Key

VOBYNLYGFCGXCW-VIFPVBQESA-N

MDL Number (MFCD)

MFCD04470217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.623

Distribution Coefficient, logD

2.623

Water Solubility, LogSw

-2.66

Polar Surface Area

71.694

Acid Dissociation Constant (pKa)

17.68

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

C610-0063 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C610-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C610-0063?
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What is the minimum amount of C610-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C610-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C610-0063
  • 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 C610-0063 available by request