C307-0111 Screening compound: (2Z)-4-[(2-fluorophenyl)methyl]-2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzoxazin-3-one

C307-0111 Screening compound: (2Z)-4-[(2-fluorophenyl)methyl]-2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzoxazin-3-one
C307-0111 Screening compound: (2Z)-4-[(2-fluorophenyl)methyl]-2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C307-0111
(2Z)-4-[(2-fluorophenyl)methyl]-2-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-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

C307-0111

Molecular Formula

C32H27FN4O3 (C32 H27 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C32H27FN4O3/c33-26-8-2-1-7-25(26)22-37-27-9-3-4-10-28(27)40-29(32(37)39)21-23-12-14-24(15-13-23)31(38)36-19-17-35(18-20-36)30-11-5-6-16-34-30/h1-16,21H,17-20,22H2

InChI Key

IUUDWYBAPCTSMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.370

Distribution Coefficient, logD

5.361

Water Solubility, LogSw

-5.77

Polar Surface Area

51.453

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

References: we are preparing a list of scientific research reports with C307-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C307-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C307-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C307-0111
  • 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 C307-0111 available by request