V025-6029 Screening compound: 3-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of ChemDiv screening compound V025-6029
3-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
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
V025-6029
Molecular Formula
C24H33N3O5S (C24 H33 N3 O5 S)
Compound Name
3-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
IUPAC name
3-{[(butan-2-yl)(tert-butylcarbamoyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
SMILES
CCC(C)N(Cc1cccc(OS(c(cc2)ccc2NC(C)=O)(=O)=O)c1)C(NC(C)(C)C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
475.61
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.145
Distribution Coefficient, logD
4.145
Water Solubility, LogSw
-4.16
Polar Surface Area
84.039
Acid Dissociation Constant (pKa)
10.98
Base Dissociation Constant (pKb)
1.67
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
41.70
V025-6029 in Drug Discovery
Included in Screening Libraries
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with V025-6029 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of V025-6029, 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.
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)