K783-3718 Screening compound: ethyl 4-[(aminocarbamothioyl)amino]benzoate

K783-3718 Screening compound: ethyl 4-[(aminocarbamothioyl)amino]benzoate
K783-3718 Screening compound: ethyl 4-[(aminocarbamothioyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-3718
ethyl 4-[(aminocarbamothioyl)amino]benzoate

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

K783-3718

Molecular Formula

C10H13N3O2S (C10 H13 N3 O2 S)

Compound Name

ethyl 4-[(aminocarbamothioyl)amino]benzoate

IUPAC name

ethyl 4-[(aminocarbamothioyl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC(NN)=S)=O

InChI

InChI=1S/C10H13N3O2S/c1-2-15-9(14)7-3-5-8(6-4-7)12-10(16)13-11/h3-6H,2,11H2,1H3,(H2,12,13,16)

InChI Key

AFWIXYFUAGZASP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00079754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.542

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-2.21

Polar Surface Area

65.629

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K783-3718 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K783-3718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-3718?
Check Price and Availability of K783-3718, 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 K783-3718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-3718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-3718
  • 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 K783-3718 available by request