F118-0505 Screening compound: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-N~6~,N~6~-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F118-0505 Screening compound: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-N~6~,N~6~-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F118-0505 Screening compound: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-N~6~,N~6~-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F118-0505
4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-N~6~,N~6~-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-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

F118-0505

Molecular Formula

C20H18N4O4S (C20 H18 N4 O4 S)

Compound Name

4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-N~6~,N~6~-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

4-{[(13-benzothiazol-2-yl)carbamoyl]methyl}-NN-dimethyl-3-oxo-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

CN(C)C(c(cc1)cc(N2CC(Nc3nc(cccc4)c4s3)=O)c1OCC2=O)=O

InChI

InChI=1S/C20H18N4O4S/c1-23(2)19(27)12-7-8-15-14(9-12)24(18(26)11-28-15)10-17(25)22-20-21-13-5-3-4-6-16(13)29-20/h3-9H,10-11H2,1-2H3,(H,21,22,25)

InChI Key

XMPCAHYBYRSSTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.537

Distribution Coefficient, logD

1.537

Water Solubility, LogSw

-2.60

Polar Surface Area

72.980

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with F118-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F118-0505?
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What is the minimum amount of F118-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F118-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F118-0505
  • 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 F118-0505 available by request