Y600-1339 Screening compound: 3-phenyl-10-propyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y600-1339 Screening compound: 3-phenyl-10-propyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y600-1339 Screening compound: 3-phenyl-10-propyl-11-(2-thienyl)-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 Y600-1339
3-phenyl-10-propyl-11-(2-thienyl)-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

Y600-1339

Molecular Formula

C26H26N2OS (C26 H26 N2 OS)

Compound Name

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

IUPAC name

14-phenyl-9-propyl-10-(thiophen-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCCN(C1c2cccs2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O

InChI

InChI=1S/C26H26N2OS/c1-2-14-28-22-12-7-6-11-20(22)27-21-16-19(18-9-4-3-5-10-18)17-23(29)25(21)26(28)24-13-8-15-30-24/h3-13,15,19,26-27H,2,14,16-17H2,1H3

InChI Key

QQUBFAWTJTXZQP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.333

Distribution Coefficient, logD

6.249

Water Solubility, LogSw

-5.53

Polar Surface Area

27.577

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.92

Y600-1339 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y600-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1339?
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What is the minimum amount of Y600-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1339
  • 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 Y600-1339 available by request