Y600-1997 Screening compound: 11-(2,3-difluorophenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide

Y600-1997 Screening compound: 11-(2,3-difluorophenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Y600-1997 Screening compound: 11-(2,3-difluorophenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-1997
11-(2,3-difluorophenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide

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

Y600-1997

Molecular Formula

C28H25F2N3OS (C28 H25 F2 N3 OS)

Compound Name

11-(2,3-difluorophenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide

IUPAC name

10-(23-difluorophenyl)-1414-dimethyl-12-oxo-N-phenyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraene-9-carbothioamide

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c(cccc3F)c3F)C(Nc3ccccc3)=S)=C2C1=O

InChI

InChI=1S/C28H25F2N3OS/c1-28(2)15-21-24(23(34)16-28)26(18-11-8-12-19(29)25(18)30)33(22-14-7-6-13-20(22)32-21)27(35)31-17-9-4-3-5-10-17/h3-14,26,32H,15-16H2,1-2H3,(H,31,35)/t26-/m0/s1

InChI Key

VKXJTVALIHLVNE-SANMLTNESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.511

Distribution Coefficient, logD

6.505

Water Solubility, LogSw

-5.77

Polar Surface Area

33.415

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.43

References: we are preparing a list of scientific research reports with Y600-1997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1997?
Check Price and Availability of Y600-1997, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y600-1997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1997
  • 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 Y600-1997 available by request