8019-6644 Screening compound: 4-(4-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
Chemical Structure Depiction of ChemDiv screening compound 8019-6644
4-(4-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-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
8019-6644
Molecular Formula
C21H17FN4O2S2 (C21 H17 FN4 O2 S2)
Compound Name
4-(4-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
IUPAC name
4-(4-fluorophenyl)-1-(6-methoxy-13-benzothiazol-2-yl)-3-methyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one
SMILES
Cc(c(C(c(cc1)ccc1F)SC1)c2NC1=O)nn2-c1nc(ccc(OC)c2)c2s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
440.52
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.662
Distribution Coefficient, logD
4.506
Water Solubility, LogSw
-4.52
Polar Surface Area
56.501
Acid Dissociation Constant (pKa)
11.25
Base Dissociation Constant (pKb)
7.04
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
19.00
8019-6644 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Anticancer Library (62698 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Kinases
References: we are preparing a list of scientific research reports with 8019-6644 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)