C610-0337 Screening compound: methyl 2-{[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}acetate

C610-0337 Screening compound: methyl 2-{[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}acetate
C610-0337 Screening compound: methyl 2-{[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C610-0337
methyl 2-{[6,8-dimethyl-2-(4-nitrophenyl)-5,7-dioxo-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

C610-0337

Molecular Formula

C17H15N5O6S (C17 H15 N5 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)c(SCC(OC)=O)nc(-c(cc3)ccc3[N+]([O-])=O)n1)C2=O

InChI

InChI=1S/C17H15N5O6S/c1-20-14-12(16(24)21(2)17(20)25)15(29-8-11(23)28-3)19-13(18-14)9-4-6-10(7-5-9)22(26)27/h4-7H,8H2,1-3H3

InChI Key

INYBAUBEMRQTRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04470569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.4

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.098

Distribution Coefficient, logD

3.098

Water Solubility, LogSw

-3.42

Polar Surface Area

105.016

Acid Dissociation Constant (pKa)

19.11

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with C610-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C610-0337?
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What is the minimum amount of C610-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C610-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C610-0337
  • 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 C610-0337 available by request