F823-0169 Screening compound: 4-[(6-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-cyclohexylpiperazine-1-carboxamide

F823-0169 Screening compound: 4-[(6-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-cyclohexylpiperazine-1-carboxamide
F823-0169 Screening compound: 4-[(6-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-cyclohexylpiperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F823-0169
4-[(6-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-cyclohexylpiperazine-1-carboxamide

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

F823-0169

Molecular Formula

C20H27ClN4O5S (C20 H27 ClN4 O5 S)

Compound Name

4-[(6-chloro-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-cyclohexylpiperazine-1-carboxamide

IUPAC name

4-[(6-chloro-2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]-N-cyclohexylpiperazine-1-carboxamide

SMILES

CC(C(Nc1c2)=O)Oc1cc(S(N(CC1)CCN1C(NC1CCCCC1)=O)(=O)=O)c2Cl

InChI

InChI=1S/C20H27ClN4O5S/c1-13-19(26)23-16-11-15(21)18(12-17(16)30-13)31(28,29)25-9-7-24(8-10-25)20(27)22-14-5-3-2-4-6-14/h11-14H,2-10H2,1H3,(H,22,27)(H,23,26)/t13-/m1/s1

InChI Key

SETMQDDPRWUDKH-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14967370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

2.656

Water Solubility, LogSw

-3.53

Polar Surface Area

90.882

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

F823-0169 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F823-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F823-0169?
Check Price and Availability of F823-0169, 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 F823-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F823-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F823-0169
  • 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 F823-0169 available by request