C799-0076 Screening compound: N-benzyl-N'-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N-methylurea

C799-0076 Screening compound: N-benzyl-N'-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N-methylurea
C799-0076 Screening compound: N-benzyl-N'-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0076
N-benzyl-N'-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N-methylurea

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

C799-0076

Molecular Formula

C29H25N3O2S (C29 H25 N3 O2 S)

Compound Name

N-benzyl-N'-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N-methylurea

IUPAC name

1-benzyl-3-{9-benzyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-6-yl}-1-methylurea

SMILES

CN(Cc1ccccc1)C(Nc(cc1)cc(N2Cc3ccccc3)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C29H25N3O2S/c1-31(19-21-10-4-2-5-11-21)29(34)30-23-16-17-27-25(18-23)32(20-22-12-6-3-7-13-22)28(33)24-14-8-9-15-26(24)35-27/h2-18H,19-20H2,1H3,(H,30,34)

InChI Key

UEKUJRUXXYWBTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.491

Distribution Coefficient, logD

6.491

Water Solubility, LogSw

-5.62

Polar Surface Area

40.372

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

C799-0076 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C799-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0076?
Check Price and Availability of C799-0076, 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 C799-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0076
  • 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 C799-0076 available by request