Y600-4345 Screening compound: 10-(4-chlorobenzoyl)-11-(4-chlorophenyl)-3-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y600-4345 Screening compound: 10-(4-chlorobenzoyl)-11-(4-chlorophenyl)-3-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y600-4345 Screening compound: 10-(4-chlorobenzoyl)-11-(4-chlorophenyl)-3-(2-furyl)-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 Y600-4345
10-(4-chlorobenzoyl)-11-(4-chlorophenyl)-3-(2-furyl)-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

Y600-4345

Molecular Formula

C30H22Cl2N2O3 (C30 H22 Cl2 N2 O3)

Compound Name

10-(4-chlorobenzoyl)-11-(4-chlorophenyl)-3-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

9-(4-chlorobenzoyl)-10-(4-chlorophenyl)-14-(furan-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

O=C(c(cc1)ccc1Cl)N(C1c(cc2)ccc2Cl)c(cccc2)c2NC(CC(C2)c3ccco3)=C1C2=O

InChI

InChI=1S/C30H22Cl2N2O3/c31-21-11-7-18(8-12-21)29-28-24(16-20(17-26(28)35)27-6-3-15-37-27)33-23-4-1-2-5-25(23)34(29)30(36)19-9-13-22(32)14-10-19/h1-15,20,29,33H,16-17H2

InChI Key

QQFWVDUPIOHYTC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

529.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.980

Distribution Coefficient, logD

6.948

Water Solubility, LogSw

-6.60

Polar Surface Area

47.471

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.33

References: we are preparing a list of scientific research reports with Y600-4345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-4345?
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What is the minimum amount of Y600-4345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-4345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-4345
  • 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 Y600-4345 available by request