L512-0104 Screening compound: 1-{[4-(TERT-BUTYL)PHENYL]SULFONYL}-N~2~-[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]-2-PYRROLIDINECARBOXAMIDE

L512-0104 Screening compound: 1-{[4-(TERT-BUTYL)PHENYL]SULFONYL}-N~2~-[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]-2-PYRROLIDINECARBOXAMIDE
L512-0104 Screening compound: 1-{[4-(TERT-BUTYL)PHENYL]SULFONYL}-N~2~-[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]-2-PYRROLIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L512-0104
1-{[4-(TERT-BUTYL)PHENYL]SULFONYL}-N~2~-[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]-2-PYRROLIDINECARBOXAMIDE

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

L512-0104

Molecular Formula

C20H27N3O3S2 (C20 H27 N3 O3 S2)

Compound Name

1-{[4-(TERT-BUTYL)PHENYL]SULFONYL}-N~2~-[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]-2-PYRROLIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)(C)c(cc1)ccc1S(N(CCC1)C1C(NCc1csc(C)n1)=O)(=O)=O

InChI

InChI=1S/C20H27N3O3S2/c1-14-22-16(13-27-14)12-21-19(24)18-6-5-11-23(18)28(25,26)17-9-7-15(8-10-17)20(2,3)4/h7-10,13,18H,5-6,11-12H2,1-4H3,(H,21,24)/t18-/m0/s1

InChI Key

UTGHXEOEDNQLAJ-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.77

Polar Surface Area

67.507

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

L512-0104 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L512-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L512-0104?
Check Price and Availability of L512-0104, 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.
What is the minimum amount of L512-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L512-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L512-0104
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L512-0104 available by request