0342-0284 Screening compound: 1-[4-(5-amino-1H-1,2,4-triazol-3-yl)butyl]-3-methylthiourea

0342-0284 Screening compound: 1-[4-(5-amino-1H-1,2,4-triazol-3-yl)butyl]-3-methylthiourea
0342-0284 Screening compound: 1-[4-(5-amino-1H-1,2,4-triazol-3-yl)butyl]-3-methylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0342-0284
1-[4-(5-amino-1H-1,2,4-triazol-3-yl)butyl]-3-methylthiourea

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

0342-0284

Molecular Formula

C8H16N6S (C8 H16 N6 S)

Compound Name

1-[4-(5-amino-1H-1,2,4-triazol-3-yl)butyl]-3-methylthiourea

IUPAC name

1-[4-(5-amino-1H-124-triazol-3-yl)butyl]-3-methylthiourea

SMILES

CNC(NCCCCc1n[nH]c(N)n1)=S

InChI

InChI=1S/C8H16N6S/c1-10-8(15)11-5-3-2-4-6-12-7(9)14-13-6/h2-5H2,1H3,(H2,10,11,15)(H3,9,12,13,14)

InChI Key

HTENHZQEARPEQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00453650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

228.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.640

Distribution Coefficient, logD

-0.682

Water Solubility, LogSw

-0.53

Polar Surface Area

77.482

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

0342-0284 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0342-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0342-0284?
Check Price and Availability of 0342-0284, 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 0342-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0342-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0342-0284
  • 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 0342-0284 available by request