T634-0046 Screening compound: 4-(2,1,3-benzothiadiazole-4-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

T634-0046 Screening compound: 4-(2,1,3-benzothiadiazole-4-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
T634-0046 Screening compound: 4-(2,1,3-benzothiadiazole-4-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0046
4-(2,1,3-benzothiadiazole-4-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

T634-0046

Molecular Formula

C20H22N4O4S2 (C20 H22 N4 O4 S2)

Compound Name

4-(2,1,3-benzothiadiazole-4-sulfonyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-(213-benzothiadiazole-4-sulfonyl)-7-[(morpholin-4-yl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

O=S(c1cccc2nsnc12)(N1Cc(cc(CN2CCOCC2)cc2)c2OCC1)=O

InChI

InChI=1S/C20H22N4O4S2/c25-30(26,19-3-1-2-17-20(19)22-29-21-17)24-8-11-28-18-5-4-15(12-16(18)14-24)13-23-6-9-27-10-7-23/h1-5,12H,6-11,13-14H2

InChI Key

NPYNZGRBHBOPBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31979228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.407

Distribution Coefficient, logD

2.330

Water Solubility, LogSw

-2.74

Polar Surface Area

72.487

Acid Dissociation Constant (pKa)

26.67

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

T634-0046 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0046?
Check Price and Availability of T634-0046, 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 T634-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0046
  • 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 T634-0046 available by request