6186-3853 Screening compound: 3-[N-(4-methylquinazolin-2-yl)carbamimidoyl]-1-phenylthiourea

6186-3853 Screening compound: 3-[N-(4-methylquinazolin-2-yl)carbamimidoyl]-1-phenylthiourea
6186-3853 Screening compound: 3-[N-(4-methylquinazolin-2-yl)carbamimidoyl]-1-phenylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-3853
3-[N-(4-methylquinazolin-2-yl)carbamimidoyl]-1-phenylthiourea

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

6186-3853

Molecular Formula

C17H16N6S (C17 H16 N6 S)

Compound Name

3-[N-(4-methylquinazolin-2-yl)carbamimidoyl]-1-phenylthiourea

IUPAC name

3-[N-(4-methylquinazolin-2-yl)carbamimidoyl]-1-phenylthiourea

SMILES

Cc1nc(NC(NC(Nc2ccccc2)=S)=N)nc2ccccc12

InChI

InChI=1S/C17H16N6S/c1-11-13-9-5-6-10-14(13)21-16(19-11)22-15(18)23-17(24)20-12-7-3-2-4-8-12/h2-10H,1H3,(H4,18,19,20,21,22,23,24)

InChI Key

SVFKGMASQXKQSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03490351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.624

Distribution Coefficient, logD

0.545

Water Solubility, LogSw

-3.94

Polar Surface Area

66.753

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

10.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

6186-3853 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6186-3853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-3853?
Check Price and Availability of 6186-3853, 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 6186-3853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-3853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-3853
  • 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 6186-3853 available by request