1989-9536 Screening compound: (4Z)-4-{[(6-aminopyridin-2-yl)amino]methylidene}-2-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-5-one

1989-9536 Screening compound: (4Z)-4-{[(6-aminopyridin-2-yl)amino]methylidene}-2-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-5-one
1989-9536 Screening compound: (4Z)-4-{[(6-aminopyridin-2-yl)amino]methylidene}-2-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1989-9536
(4Z)-4-{[(6-aminopyridin-2-yl)amino]methylidene}-2-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-5-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

1989-9536

Molecular Formula

C15H11BrN4O2 (C15 H11 BrN4 O2)

Compound Name

(4Z)-4-{[(6-aminopyridin-2-yl)amino]methylidene}-2-(2-bromophenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-{[(6-aminopyridin-2-yl)amino]methylidene}-2-(2-bromophenyl)-45-dihydro-13-oxazol-5-one

SMILES

Nc1cccc(N/C=C2\N=C(c(cccc3)c3Br)OC2=O)n1

InChI

InChI=1S/C15H11BrN4O2/c16-10-5-2-1-4-9(10)14-19-11(15(21)22-14)8-18-13-7-3-6-12(17)20-13/h1-8H,(H3,17,18,20)/b11-8-

InChI Key

MBYHXATYRXKLPL-FLIBITNWSA-N

MDL Number (MFCD)

MFCD01247493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.392

Distribution Coefficient, logD

2.392

Water Solubility, LogSw

-3.00

Polar Surface Area

71.795

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1989-9536 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 1989-9536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1989-9536?
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What is the minimum amount of 1989-9536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1989-9536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1989-9536
  • 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 1989-9536 available by request