D216-0602 Screening compound: N-{5-[2-(morpholin-4-yl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

D216-0602 Screening compound: N-{5-[2-(morpholin-4-yl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide
D216-0602 Screening compound: N-{5-[2-(morpholin-4-yl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0602
N-{5-[2-(morpholin-4-yl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

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

D216-0602

Molecular Formula

C18H18N6O4S (C18 H18 N6 O4 S)

Compound Name

N-{5-[2-(morpholin-4-yl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

IUPAC name

N-{5-[2-(morpholin-4-yl)-2-oxoethyl]-134-thiadiazol-2-yl}-2-(4-oxo-34-dihydroquinazolin-3-yl)acetamide

SMILES

O=C(CN(C=Nc1c2cccc1)C2=O)Nc1nnc(CC(N2CCOCC2)=O)s1

InChI

InChI=1S/C18H18N6O4S/c25-14(10-24-11-19-13-4-2-1-3-12(13)17(24)27)20-18-22-21-15(29-18)9-16(26)23-5-7-28-8-6-23/h1-4,11H,5-10H2,(H,20,22,25)

InChI Key

PZBLWPNZVDHJQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.168

Distribution Coefficient, logD

-0.179

Water Solubility, LogSw

-2.48

Polar Surface Area

97.558

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D216-0602 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D216-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0602?
Check Price and Availability of D216-0602, 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 D216-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0602
  • 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 D216-0602 available by request