Y600-1231 Screening compound: N-[4-(aminosulfonyl)phenyl]-4-(2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarbothioamide
Chemical Structure Depiction of ChemDiv screening compound Y600-1231
N-[4-(aminosulfonyl)phenyl]-4-(2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarbothioamide
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
Y600-1231
Molecular Formula
C15H18N6O2S2 (C15 H18 N6 O2 S2)
Compound Name
N-[4-(aminosulfonyl)phenyl]-4-(2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarbothioamide
IUPAC name
4-(pyrimidin-2-yl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
SMILES
NS(c(cc1)ccc1NC(N(CC1)CCN1c1ncccn1)=S)(=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
378.48
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.387
Distribution Coefficient, logD
1.385
Water Solubility, LogSw
-2.22
Polar Surface Area
83.362
Acid Dissociation Constant (pKa)
10.01
Base Dissociation Constant (pKb)
3.60
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.67
Y600-1231 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Carbonic Anhydrase II Library (4939 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with Y600-1231 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)