C201-0206 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-5-(hydroxymethyl)-2-imino-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide

C201-0206 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-5-(hydroxymethyl)-2-imino-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
C201-0206 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-5-(hydroxymethyl)-2-imino-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0206
N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-5-(hydroxymethyl)-2-imino-8-methyl-2H-pyrano[2,3-c]pyridine-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

C201-0206

Molecular Formula

C24H19N5O3 (C24 H19 N5 O3)

Compound Name

N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-5-(hydroxymethyl)-2-imino-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide

IUPAC name

N-[4-(1H-13-benzodiazol-2-yl)phenyl]-5-(hydroxymethyl)-2-imino-8-methyl-2H-pyrano[23-c]pyridine-3-carboxamide

SMILES

Cc1ncc(CO)c(C=C2C(Nc(cc3)ccc3-c3nc(cccc4)c4[nH]3)=O)c1OC2=N

InChI

InChI=1S/C24H19N5O3/c1-13-21-17(15(12-30)11-26-13)10-18(22(25)32-21)24(31)27-16-8-6-14(7-9-16)23-28-19-4-2-3-5-20(19)29-23/h2-11,25,30H,12H2,1H3,(H,27,31)(H,28,29)

InChI Key

SCBJCPLIDYGMLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-3.24

Polar Surface Area

94.101

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C201-0206 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C201-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0206?
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What is the minimum amount of C201-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0206
  • 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 C201-0206 available by request