Y600-1335 Screening compound: 3-(4-methoxyphenyl)-8-methyl-11-(2-thienyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y600-1335 Screening compound: 3-(4-methoxyphenyl)-8-methyl-11-(2-thienyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y600-1335 Screening compound: 3-(4-methoxyphenyl)-8-methyl-11-(2-thienyl)-10-(2,2,2-trifluoroacetyl)-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 Y600-1335
3-(4-methoxyphenyl)-8-methyl-11-(2-thienyl)-10-(2,2,2-trifluoroacetyl)-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

Y600-1335

Molecular Formula

C27H23F3N2O3S (C27 H23 F3 N2 O3 S)

Compound Name

3-(4-methoxyphenyl)-8-methyl-11-(2-thienyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

14-(4-methoxyphenyl)-6-methyl-10-(thiophen-2-yl)-9-(222-trifluoroacetyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

Cc(cc1)cc(N(C2c3cccs3)C(C(F)(F)F)=O)c1NC(CC(C1)c(cc3)ccc3OC)=C2C1=O

InChI

InChI=1S/C27H23F3N2O3S/c1-15-5-10-19-21(12-15)32(26(34)27(28,29)30)25(23-4-3-11-36-23)24-20(31-19)13-17(14-22(24)33)16-6-8-18(35-2)9-7-16/h3-12,17,25,31H,13-14H2,1-2H3

InChI Key

PURXEQFBZQESMW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.085

Distribution Coefficient, logD

5.550

Water Solubility, LogSw

-5.47

Polar Surface Area

47.727

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.93

Y600-1335 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y600-1335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1335?
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What is the minimum amount of Y600-1335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1335
  • 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 Y600-1335 available by request