C201-0314 Screening compound: [(2Z)-3-[(3,4-difluorophenyl)carbamoyl]-2H-chromen-2-ylidene]amino acetate

C201-0314 Screening compound: [(2Z)-3-[(3,4-difluorophenyl)carbamoyl]-2H-chromen-2-ylidene]amino acetate
C201-0314 Screening compound: [(2Z)-3-[(3,4-difluorophenyl)carbamoyl]-2H-chromen-2-ylidene]amino acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0314
[(2Z)-3-[(3,4-difluorophenyl)carbamoyl]-2H-chromen-2-ylidene]amino acetate

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

C201-0314

Molecular Formula

C18H12F2N2O4 (C18 H12 F2 N2 O4)

Compound Name

[(2Z)-3-[(3,4-difluorophenyl)carbamoyl]-2H-chromen-2-ylidene]amino acetate

IUPAC name

[(2Z)-3-[(34-difluorophenyl)carbamoyl]-2H-chromen-2-ylidene]amino acetate

SMILES

CC(O/N=C1\Oc(cccc2)c2C=C1C(Nc(cc1)cc(F)c1F)=O)=O

InChI

InChI=1S/C18H12F2N2O4/c1-10(23)26-22-18-13(8-11-4-2-3-5-16(11)25-18)17(24)21-12-6-7-14(19)15(20)9-12/h2-9H,1H3,(H,21,24)

InChI Key

JUAMNPLKFFPNPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.051

Distribution Coefficient, logD

2.272

Water Solubility, LogSw

-3.52

Polar Surface Area

63.262

Acid Dissociation Constant (pKa)

6.70

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C201-0314 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C201-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0314?
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What is the minimum amount of C201-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0314
  • 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 C201-0314 available by request