8451-07212 Screening compound: N-[7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

8451-07212 Screening compound: N-[7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
8451-07212 Screening compound: N-[7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-07212
N-[7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]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

8451-07212

Molecular Formula

C17H15N5O3S2 (C17 H15 N5 O3 S2)

Compound Name

N-[7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-[7-(furan-2-yl)-5-oxo-5678-tetrahydroquinazolin-2-yl]-2-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]acetamide

SMILES

Cc1nnc(SCC(Nc(nc2)nc(CC(C3)c4ccco4)c2C3=O)=O)s1

InChI

InChI=1S/C17H15N5O3S2/c1-9-21-22-17(27-9)26-8-15(24)20-16-18-7-11-12(19-16)5-10(6-13(11)23)14-3-2-4-25-14/h2-4,7,10H,5-6,8H2,1H3,(H,18,19,20,24)/t10-/m1/s1

InChI Key

FVMWNEABRQZWCU-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD04177714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.729

Distribution Coefficient, logD

1.627

Water Solubility, LogSw

-2.48

Polar Surface Area

88.991

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

8451-07212 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8451-07212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-07212?
Check Price and Availability of 8451-07212, 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 8451-07212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-07212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-07212
  • 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 8451-07212 available by request