D628-0012 Screening compound: 2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzothiazole
Chemical Structure Depiction of ChemDiv screening compound D628-0012
2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzothiazole
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
D628-0012
Molecular Formula
C16H14N2OS2 (C16 H14 N2 OS2)
Compound Name
2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzothiazole
IUPAC name
2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-13-benzothiazole
SMILES
O=C(c1cccs1)N(CCC1)C1c1nc(cccc2)c2s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
314.43
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.718
Distribution Coefficient, logD
3.718
Water Solubility, LogSw
-4.00
Polar Surface Area
27.414
Acid Dissociation Constant (pKa)
27.05
Base Dissociation Constant (pKb)
-1.48
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
25.00
D628-0012 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Cancer
- Epigenetic
- PPI modulators
References: we are preparing a list of scientific research reports with D628-0012 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)