Y010-1557 Screening compound: 3,3-dimethyl-10-propionyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y010-1557 Screening compound: 3,3-dimethyl-10-propionyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y010-1557 Screening compound: 3,3-dimethyl-10-propionyl-11-[4-(trifluoromethyl)phenyl]-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 Y010-1557
3,3-dimethyl-10-propionyl-11-[4-(trifluoromethyl)phenyl]-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

Y010-1557

Molecular Formula

C25H25F3N2O2 (C25 H25 F3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H25F3N2O2/c1-4-21(32)30-19-8-6-5-7-17(19)29-18-13-24(2,3)14-20(31)22(18)23(30)15-9-11-16(12-10-15)25(26,27)28/h5-12,23,29H,4,13-14H2,1-3H3/t23-/m0/s1

InChI Key

RBSIDMDQXNRZGZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01466238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.450

Distribution Coefficient, logD

5.220

Water Solubility, LogSw

-5.51

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

36.00

References: we are preparing a list of scientific research reports with Y010-1557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1557?
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What is the minimum amount of Y010-1557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1557
  • 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 Y010-1557 available by request