F782-0901 Screening compound: N-{5-[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}propanamide

F782-0901 Screening compound: N-{5-[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}propanamide
F782-0901 Screening compound: N-{5-[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F782-0901
N-{5-[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}propanamide

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

F782-0901

Molecular Formula

C21H20N4O4S (C21 H20 N4 O4 S)

Compound Name

N-{5-[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}propanamide

IUPAC name

N-{5-[2-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamido]-13-benzothiazol-2-yl}propanamide

SMILES

CCC(Nc1nc(cc(cc2)NC(CN3c(cccc4)c4OC(C)C3=O)=O)c2s1)=O

InChI

InChI=1S/C21H20N4O4S/c1-3-18(26)24-21-23-14-10-13(8-9-17(14)30-21)22-19(27)11-25-15-6-4-5-7-16(15)29-12(2)20(25)28/h4-10,12H,3,11H2,1-2H3,(H,22,27)(H,23,24,26)/t12-/m1/s1

InChI Key

GITHBSZGJWDEHF-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27189736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.289

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-3.62

Polar Surface Area

79.132

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

F782-0901 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 F782-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F782-0901?
Check Price and Availability of F782-0901, 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 F782-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F782-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F782-0901
  • 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 F782-0901 available by request