Y010-0208 Screening compound: 3-tert-butyl-1-{[4-(3-chloro-4-methylphenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-1-yl]methyl}urea

Y010-0208 Screening compound: 3-tert-butyl-1-{[4-(3-chloro-4-methylphenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-1-yl]methyl}urea
Y010-0208 Screening compound: 3-tert-butyl-1-{[4-(3-chloro-4-methylphenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-1-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0208
3-tert-butyl-1-{[4-(3-chloro-4-methylphenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-1-yl]methyl}urea

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

Y010-0208

Molecular Formula

C21H24ClN3O4 (C21 H24 ClN3 O4)

Compound Name

3-tert-butyl-1-{[4-(3-chloro-4-methylphenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-1-yl]methyl}urea

IUPAC name

3-tert-butyl-1-{[4-(3-chloro-4-methylphenyl)-35-dioxo-10-oxa-4-azatricyclo[5.2.1.0^{26}]dec-8-en-1-yl]methyl}urea

SMILES

CC(C)(C)NC(NCC1(C(C2C(N3c4cc(Cl)c(C)cc4)=O)C3=O)OC2C=C1)=O

InChI

InChI=1S/C21H24ClN3O4/c1-11-5-6-12(9-13(11)22)25-17(26)15-14-7-8-21(29-14,16(15)18(25)27)10-23-19(28)24-20(2,3)4/h5-9,14-16H,10H2,1-4H3,(H2,23,24,28)

InChI Key

VAMPMQGOGIZPGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07397443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.739

Distribution Coefficient, logD

2.739

Water Solubility, LogSw

-3.56

Polar Surface Area

71.038

Acid Dissociation Constant (pKa)

16.27

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

47.60

Y010-0208 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y010-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0208?
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What is the minimum amount of Y010-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0208
  • 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 Y010-0208 available by request