Y600-1338 Screening compound: 3-phenyl-11-(2-thienyl)-10-(2-thienylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y600-1338 Screening compound: 3-phenyl-11-(2-thienyl)-10-(2-thienylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y600-1338 Screening compound: 3-phenyl-11-(2-thienyl)-10-(2-thienylcarbonyl)-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 Y600-1338
3-phenyl-11-(2-thienyl)-10-(2-thienylcarbonyl)-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

Y600-1338

Molecular Formula

C28H22N2O2S2 (C28 H22 N2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccs1)N(C1c2cccs2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O

InChI

InChI=1S/C28H22N2O2S2/c31-23-17-19(18-8-2-1-3-9-18)16-21-26(23)27(24-12-6-14-33-24)30(28(32)25-13-7-15-34-25)22-11-5-4-10-20(22)29-21/h1-15,19,27,29H,16-17H2

InChI Key

WVUWJNXSRREKBS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.63

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

6.297

Distribution Coefficient, logD

6.226

Water Solubility, LogSw

-5.88

Polar Surface Area

40.930

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with Y600-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1338?
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What is the minimum amount of Y600-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1338
  • 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 Y600-1338 available by request