D165-0316 Screening compound: 7-chloro-2,4-bis(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of ChemDiv screening compound D165-0316
7-chloro-2,4-bis(thiophen-2-yl)-1H-1,3,5-benzotriazepine
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
D165-0316
Molecular Formula
C16H10ClN3S2 (C16 H10 ClN3 S2)
Compound Name
7-chloro-2,4-bis(thiophen-2-yl)-1H-1,3,5-benzotriazepine
IUPAC name
7-chloro-24-bis(thiophen-2-yl)-1H-135-benzotriazepine
SMILES
Clc(cc1)cc2c1NC(c1cccs1)=NC(c1cccs1)=N2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
343.86
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.748
Distribution Coefficient, logD
4.748
Water Solubility, LogSw
-4.98
Polar Surface Area
33.512
Acid Dissociation Constant (pKa)
11.38
Base Dissociation Constant (pKb)
2.76
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
D165-0316 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Akt-Targeted Library (14764 compounds)
New Agro Library (44492 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
- Agro
- Mimetics
References: we are preparing a list of scientific research reports with D165-0316 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)