C200-9348 Screening compound: 2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-isopentyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

C200-9348 Screening compound: 2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-isopentyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
C200-9348 Screening compound: 2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-isopentyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9348
2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-isopentyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-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

C200-9348

Molecular Formula

C26H24ClN3O3S (C26 H24 ClN3 O3 S)

Compound Name

2-({[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-3-isopentyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

IUPAC name

4-({[2-(3-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-5-(3-methylbutyl)-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

CC(C)CCN(C1=O)C(SCc2c(C)oc(-c3cccc(Cl)c3)n2)=Nc2c1oc1c2cccc1

InChI

InChI=1S/C26H24ClN3O3S/c1-15(2)11-12-30-25(31)23-22(19-9-4-5-10-21(19)33-23)29-26(30)34-14-20-16(3)32-24(28-20)17-7-6-8-18(27)13-17/h4-10,13,15H,11-12,14H2,1-3H3

InChI Key

YXGGBGXFYQROLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.032

Distribution Coefficient, logD

7.032

Water Solubility, LogSw

-6.35

Polar Surface Area

50.038

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C200-9348 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C200-9348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9348?
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What is the minimum amount of C200-9348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9348
  • 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 C200-9348 available by request