F782-0827 Screening compound: N-{5-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}propanamide

F782-0827 Screening compound: N-{5-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}propanamide
F782-0827 Screening compound: N-{5-[2-(6-chloro-2-ethyl-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 F782-0827
N-{5-[2-(6-chloro-2-ethyl-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

F782-0827

Molecular Formula

C22H21ClN4O4S (C22 H21 ClN4 O4 S)

Compound Name

N-{5-[2-(6-chloro-2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-1,3-benzothiazol-2-yl}propanamide

IUPAC name

N-{5-[2-(6-chloro-2-ethyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetamido]-13-benzothiazol-2-yl}propanamide

SMILES

CCC1Oc(ccc(Cl)c2)c2N(CC(Nc(cc2)cc3c2sc(NC(CC)=O)n3)=O)C1=O

InChI

InChI=1S/C22H21ClN4O4S/c1-3-16-21(30)27(15-9-12(23)5-7-17(15)31-16)11-20(29)24-13-6-8-18-14(10-13)25-22(32-18)26-19(28)4-2/h5-10,16H,3-4,11H2,1-2H3,(H,24,29)(H,25,26,28)/t16-/m1/s1

InChI Key

UWQGMJNJALSDCX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14966428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.503

Distribution Coefficient, logD

4.503

Water Solubility, LogSw

-4.57

Polar Surface Area

79.326

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

F782-0827 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F782-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F782-0827?
Check Price and Availability of F782-0827, 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 F782-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F782-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F782-0827
  • 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 F782-0827 available by request