5107-0074 Screening compound: ethyl 2-[(3Z)-3-[(carbamothioylamino)imino]-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate

5107-0074 Screening compound: ethyl 2-[(3Z)-3-[(carbamothioylamino)imino]-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate
5107-0074 Screening compound: ethyl 2-[(3Z)-3-[(carbamothioylamino)imino]-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5107-0074
ethyl 2-[(3Z)-3-[(carbamothioylamino)imino]-2-oxo-2,3-dihydro-1H-indol-1-yl]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

5107-0074

Molecular Formula

C13H14N4O3S (C13 H14 N4 O3 S)

Compound Name

ethyl 2-[(3Z)-3-[(carbamothioylamino)imino]-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate

IUPAC name

ethyl 2-[(3Z)-3-[(carbamothioylamino)imino]-2-oxo-23-dihydro-1H-indol-1-yl]acetate

SMILES

CCOC(CN(c(cccc1)c1/C1=N/NC(N)=S)C1=O)=O

InChI

InChI=1S/C13H14N4O3S/c1-2-20-10(18)7-17-9-6-4-3-5-8(9)11(12(17)19)15-16-13(14)21/h3-6H,2,7H2,1H3,(H3,14,16,21)

InChI Key

VMWSZWHAFQXNJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03287049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.383

Distribution Coefficient, logD

1.383

Water Solubility, LogSw

-2.55

Polar Surface Area

76.512

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 5107-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5107-0074?
Check Price and Availability of 5107-0074, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5107-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5107-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5107-0074
  • 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 5107-0074 available by request