F801-0171 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diethylamino)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

F801-0171 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diethylamino)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
F801-0171 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diethylamino)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F801-0171
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diethylamino)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-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

F801-0171

Molecular Formula

C19H21N5O4S (C19 H21 N5 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diethylamino)-7-oxo-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[2-(diethylamino)-7-oxo-6H7H-[13]thiazolo[45-d]pyrimidin-6-yl]acetamide

SMILES

CCN(CC)c1nc(N=CN(CC(NCc(cc2)cc3c2OCO3)=O)C2=O)c2s1

InChI

InChI=1S/C19H21N5O4S/c1-3-23(4-2)19-22-17-16(29-19)18(26)24(10-21-17)9-15(25)20-8-12-5-6-13-14(7-12)28-11-27-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,20,25)

InChI Key

KEGHQEQQNBVZGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.327

Distribution Coefficient, logD

2.327

Water Solubility, LogSw

-3.01

Polar Surface Area

81.058

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

F801-0171 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F801-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F801-0171?
Check Price and Availability of F801-0171, 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 F801-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F801-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F801-0171
  • 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 F801-0171 available by request