Y020-5947 Screening compound: 4-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline

Y020-5947 Screening compound: 4-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline
Y020-5947 Screening compound: 4-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5947
4-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline

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

Y020-5947

Molecular Formula

C16H17N3O2S (C16 H17 N3 O2 S)

Compound Name

4-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline

IUPAC name

4-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5678-tetrahydroquinazoline

SMILES

Cc1nc(SCc2cc([N+]([O-])=O)ccc2)nc2c1CCCC2

InChI

InChI=1S/C16H17N3O2S/c1-11-14-7-2-3-8-15(14)18-16(17-11)22-10-12-5-4-6-13(9-12)19(20)21/h4-6,9H,2-3,7-8,10H2,1H3

InChI Key

HEKXEPVBOVKFRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03871891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.44

Polar Surface Area

52.640

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with Y020-5947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5947?
Check Price and Availability of Y020-5947, 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 Y020-5947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5947
  • 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 Y020-5947 available by request