1319-0037 Screening compound: (2Z)-N-acetyl-6-bromo-2-[(4-fluorophenyl)imino]-2H-chromene-3-carboxamide

1319-0037 Screening compound: (2Z)-N-acetyl-6-bromo-2-[(4-fluorophenyl)imino]-2H-chromene-3-carboxamide
1319-0037 Screening compound: (2Z)-N-acetyl-6-bromo-2-[(4-fluorophenyl)imino]-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1319-0037
(2Z)-N-acetyl-6-bromo-2-[(4-fluorophenyl)imino]-2H-chromene-3-carboxamide

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

1319-0037

Molecular Formula

C18H12BrFN2O3 (C18 H12 BrFN2 O3)

Compound Name

(2Z)-N-acetyl-6-bromo-2-[(4-fluorophenyl)imino]-2H-chromene-3-carboxamide

IUPAC name

(2Z)-N-acetyl-6-bromo-2-[(4-fluorophenyl)imino]-2H-chromene-3-carboxamide

SMILES

CC(NC(C1=Cc(cc(cc2)Br)c2O/C1=N\c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C18H12BrFN2O3/c1-10(23)21-17(24)15-9-11-8-12(19)2-7-16(11)25-18(15)22-14-5-3-13(20)4-6-14/h2-9H,1H3,(H,21,23,24)

InChI Key

IOPSZTLTFQFECA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

2.753

Water Solubility, LogSw

-3.40

Polar Surface Area

53.386

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

1319-0037 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1319-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1319-0037?
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What is the minimum amount of 1319-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1319-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1319-0037
  • 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 1319-0037 available by request