C482-0982 Screening compound: (6Z)-6-({1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}methylidene)-7-imino-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one

C482-0982 Screening compound: (6Z)-6-({1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}methylidene)-7-imino-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
C482-0982 Screening compound: (6Z)-6-({1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}methylidene)-7-imino-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C482-0982
(6Z)-6-({1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}methylidene)-7-imino-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-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

C482-0982

Molecular Formula

C21H19ClN4O3 (C21 H19 ClN4 O3)

Compound Name

(6Z)-6-({1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}methylidene)-7-imino-2-methyl-5H,6H,7H-[1,2]oxazolo[2,3-a]pyrimidin-5-one

IUPAC name

(6Z)-6-({1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}methylidene)-7-imino-2-methyl-5H6H7H-[12]oxazolo[23-a]pyrimidin-5-one

SMILES

CC(ON1C(/C2=C/c3cccn3CCCOc(cccc3)c3Cl)=N)=CC1=NC2=O

InChI

InChI=1S/C21H19ClN4O3/c1-14-12-19-24-21(27)16(20(23)26(19)29-14)13-15-6-4-9-25(15)10-5-11-28-18-8-3-2-7-17(18)22/h2-4,6-9,12-13,23H,5,10-11H2,1H3

InChI Key

RXZBSUHQMYTIQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

0.523

Water Solubility, LogSw

-3.37

Polar Surface Area

64.732

Acid Dissociation Constant (pKa)

26.71

Base Dissociation Constant (pKb)

9.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C482-0982 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C482-0982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C482-0982?
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What is the minimum amount of C482-0982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C482-0982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C482-0982
  • 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 C482-0982 available by request