0052-0042 Screening compound: N-(carbamothioylamino)hexanamide

0052-0042 Screening compound: N-(carbamothioylamino)hexanamide
0052-0042 Screening compound: N-(carbamothioylamino)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0052-0042
N-(carbamothioylamino)hexanamide

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

0052-0042

Molecular Formula

C7H15N3OS (C7 H15 N3 OS)

Compound Name

N-(carbamothioylamino)hexanamide

IUPAC name

N-(carbamothioylamino)hexanamide

SMILES

CCCCCC(NNC(N)=S)=O

InChI

InChI=1S/C7H15N3OS/c1-2-3-4-5-6(11)9-10-7(8)12/h2-5H2,1H3,(H,9,11)(H3,8,10,12)

InChI Key

UBEUOGJFAMYGQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00600397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

189.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.570

Distribution Coefficient, logD

0.505

Water Solubility, LogSw

-1.21

Polar Surface Area

57.985

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

0052-0042 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 0052-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0052-0042?
Check Price and Availability of 0052-0042, 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 0052-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0052-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0052-0042
  • 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 0052-0042 available by request