C310-1813 Screening compound: (2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

C310-1813 Screening compound: (2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
C310-1813 Screening compound: (2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-1813
(2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-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

C310-1813

Molecular Formula

C27H23FN4O4S (C27 H23 FN4 O4 S)

Compound Name

(2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2Z)-2-[(2-fluorophenyl)methylidene]-4-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CN(c(cc(cc1)C(N(CC2)CCN2c(cc2)ccc2[N+]([O-])=O)=O)c1S/C1=C\c(cccc2)c2F)C1=O

InChI

InChI=1S/C27H23FN4O4S/c1-29-23-16-19(6-11-24(23)37-25(27(29)34)17-18-4-2-3-5-22(18)28)26(33)31-14-12-30(13-15-31)20-7-9-21(10-8-20)32(35)36/h2-11,16-17H,12-15H2,1H3

InChI Key

CDGUATFMHGIMPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.569

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-4.42

Polar Surface Area

68.397

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with C310-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-1813
  • 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 C310-1813 available by request