Y010-0235 Screening compound: 11-(4-butoxyphenyl)-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y010-0235 Screening compound: 11-(4-butoxyphenyl)-10-isobutyryl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y010-0235 Screening compound: 11-(4-butoxyphenyl)-10-isobutyryl-3,3-dimethyl-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 Y010-0235
11-(4-butoxyphenyl)-10-isobutyryl-3,3-dimethyl-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

Y010-0235

Molecular Formula

C29H36N2O3 (C29 H36 N2 O3)

Compound Name

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

IUPAC name

10-(4-butoxyphenyl)-1414-dimethyl-9-(2-methylpropanoyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCCCOc1ccc(C2N(C(C(C)C)=O)c(cccc3)c3NC(CC(C)(C)C3)=C2C3=O)cc1

InChI

InChI=1S/C29H36N2O3/c1-6-7-16-34-21-14-12-20(13-15-21)27-26-23(17-29(4,5)18-25(26)32)30-22-10-8-9-11-24(22)31(27)28(33)19(2)3/h8-15,19,27,30H,6-7,16-18H2,1-5H3/t27-/m0/s1

InChI Key

JOKLTBFCQNKXMC-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01920752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.400

Distribution Coefficient, logD

6.170

Water Solubility, LogSw

-5.65

Polar Surface Area

46.854

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

References: we are preparing a list of scientific research reports with Y010-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0235?
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What is the minimum amount of Y010-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0235
  • 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 Y010-0235 available by request