Y600-1488 Screening compound: 11-[4-(tert-butyl)phenyl]-10-hexanoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y600-1488 Screening compound: 11-[4-(tert-butyl)phenyl]-10-hexanoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y600-1488 Screening compound: 11-[4-(tert-butyl)phenyl]-10-hexanoyl-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 Y600-1488
11-[4-(tert-butyl)phenyl]-10-hexanoyl-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

Y600-1488

Molecular Formula

C31H40N2O2 (C31 H40 N2 O2)

Compound Name

11-[4-(tert-butyl)phenyl]-10-hexanoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(4-tert-butylphenyl)-9-hexanoyl-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCCCCC(N(C1c2ccc(C(C)(C)C)cc2)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C31H40N2O2/c1-7-8-9-14-27(35)33-25-13-11-10-12-23(25)32-24-19-31(5,6)20-26(34)28(24)29(33)21-15-17-22(18-16-21)30(2,3)4/h10-13,15-18,29,32H,7-9,14,19-20H2,1-6H3/t29-/m0/s1

InChI Key

HLUQFNQIILJZMV-LJAQVGFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.831

Distribution Coefficient, logD

7.602

Water Solubility, LogSw

-5.66

Polar Surface Area

38.909

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.39

References: we are preparing a list of scientific research reports with Y600-1488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1488?
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What is the minimum amount of Y600-1488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1488
  • 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 Y600-1488 available by request