4920-0685 Screening compound: 2-{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid

4920-0685 Screening compound: 2-{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid
4920-0685 Screening compound: 2-{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4920-0685
2-{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid

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

4920-0685

Molecular Formula

C17H15N3O4S (C17 H15 N3 O4 S)

Compound Name

2-{3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid

IUPAC name

2-{3-[(13-dimethyl-46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene)methyl]-1H-indol-1-yl}acetic acid

SMILES

CN(C(C(C(N1C)=O)=Cc2cn(CC(O)=O)c3c2cccc3)=O)C1=S

InChI

InChI=1S/C17H15N3O4S/c1-18-15(23)12(16(24)19(2)17(18)25)7-10-8-20(9-14(21)22)13-6-4-3-5-11(10)13/h3-8H,9H2,1-2H3,(H,21,22)

InChI Key

FIGCZVXHWQVSJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02779817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.423

Distribution Coefficient, logD

-4.405

Water Solubility, LogSw

-1.76

Polar Surface Area

62.206

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 4920-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4920-0685?
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What is the minimum amount of 4920-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4920-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4920-0685
  • 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 4920-0685 available by request