C307-0097 Screening compound: (2Z)-2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

C307-0097 Screening compound: (2Z)-2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
C307-0097 Screening compound: (2Z)-2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C307-0097
(2Z)-2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

C307-0097

Molecular Formula

C33H27ClFN3O3 (C33 H27 ClFN3 O3)

Compound Name

(2Z)-2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2Z)-2-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(2-fluorophenyl)methyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C33H27ClFN3O3/c34-26-7-5-8-27(21-26)36-16-18-37(19-17-36)32(39)24-14-12-23(13-15-24)20-31-33(40)38(22-25-6-1-2-9-28(25)35)29-10-3-4-11-30(29)41-31/h1-15,20-21H,16-19,22H2

InChI Key

WSRZAQJYKBIFQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.286

Distribution Coefficient, logD

6.286

Water Solubility, LogSw

-6.47

Polar Surface Area

42.941

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

C307-0097 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C307-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C307-0097?
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What is the minimum amount of C307-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C307-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C307-0097
  • 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 C307-0097 available by request