Y010-0080 Screening compound: 10-isobutyryl-3,3-dimethyl-11-(3-pyridyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y010-0080 Screening compound: 10-isobutyryl-3,3-dimethyl-11-(3-pyridyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y010-0080 Screening compound: 10-isobutyryl-3,3-dimethyl-11-(3-pyridyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0080
10-isobutyryl-3,3-dimethyl-11-(3-pyridyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-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

Y010-0080

Molecular Formula

C24H27N3O2 (C24 H27 N3 O2)

Compound Name

10-isobutyryl-3,3-dimethyl-11-(3-pyridyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

1414-dimethyl-9-(2-methylpropanoyl)-10-(pyridin-3-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)C(N(C1c2cnccc2)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C24H27N3O2/c1-15(2)23(29)27-19-10-6-5-9-17(19)26-18-12-24(3,4)13-20(28)21(18)22(27)16-8-7-11-25-14-16/h5-11,14-15,22,26H,12-13H2,1-4H3/t22-/m0/s1

InChI Key

UQYTUQLHBLGTEU-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01417378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.619

Water Solubility, LogSw

-3.84

Polar Surface Area

48.954

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y010-0080 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with Y010-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0080?
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What is the minimum amount of Y010-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0080
  • 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 Y010-0080 available by request