C307-0089 Screening compound: ethyl 4-(4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzoyl)piperazine-1-carboxylate

C307-0089 Screening compound: ethyl 4-(4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzoyl)piperazine-1-carboxylate
C307-0089 Screening compound: ethyl 4-(4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzoyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C307-0089
ethyl 4-(4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzoyl)piperazine-1-carboxylate

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

C307-0089

Molecular Formula

C30H28FN3O5 (C30 H28 FN3 O5)

Compound Name

ethyl 4-(4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzoyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}benzoyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)=O)=O

InChI

InChI=1S/C30H28FN3O5/c1-2-38-30(37)33-17-15-32(16-18-33)28(35)22-13-11-21(12-14-22)19-27-29(36)34(20-23-7-3-4-8-24(23)31)25-9-5-6-10-26(25)39-27/h3-14,19H,2,15-18,20H2,1H3

InChI Key

OAUZQMHPCSJPMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.36

Polar Surface Area

62.461

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with C307-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C307-0089?
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What is the minimum amount of C307-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C307-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C307-0089
  • 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 C307-0089 available by request