F389-0976 Screening compound: (2Z)-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F389-0976 Screening compound: (2Z)-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F389-0976 Screening compound: (2Z)-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0976
(2Z)-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-oxo-2-(phenylmethylidene)-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

F389-0976

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

(2Z)-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

(2Z)-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

Cc1c(CSCCNC(c(cc2)cc(NC3=O)c2O/C3=C\c2ccccc2)=O)nc[nH]1

InChI

InChI=1S/C23H22N4O3S/c1-15-19(26-14-25-15)13-31-10-9-24-22(28)17-7-8-20-18(12-17)27-23(29)21(30-20)11-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13H2,1H3,(H,24,28)(H,25,26)(H,27,29)

InChI Key

OYAQPFZTZBWTOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.340

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.75

Polar Surface Area

79.733

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F389-0976 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F389-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0976?
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What is the minimum amount of F389-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0976
  • 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 F389-0976 available by request