T993-0397 Screening compound: N-{[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-4-(2-methylpropyl)benzene-1-sulfonamide

T993-0397 Screening compound: N-{[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-4-(2-methylpropyl)benzene-1-sulfonamide
T993-0397 Screening compound: N-{[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-4-(2-methylpropyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T993-0397
N-{[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-4-(2-methylpropyl)benzene-1-sulfonamide

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

T993-0397

Molecular Formula

C20H27N3O4S (C20 H27 N3 O4 S)

Compound Name

N-{[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl}-4-(2-methylpropyl)benzene-1-sulfonamide

IUPAC name

N-{[5-methyl-4-(pyrrolidine-1-carbonyl)-13-oxazol-2-yl]methyl}-4-(2-methylpropyl)benzene-1-sulfonamide

SMILES

CC(C)Cc(cc1)ccc1S(NCc1nc(C(N2CCCC2)=O)c(C)o1)(=O)=O

InChI

InChI=1S/C20H27N3O4S/c1-14(2)12-16-6-8-17(9-7-16)28(25,26)21-13-18-22-19(15(3)27-18)20(24)23-10-4-5-11-23/h6-9,14,21H,4-5,10-13H2,1-3H3

InChI Key

UYURIBLSHMNTLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.709

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-3.87

Polar Surface Area

76.575

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

T993-0397 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T993-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T993-0397?
Check Price and Availability of T993-0397, 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 T993-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T993-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T993-0397
  • 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 T993-0397 available by request