T993-0117 Screening compound: 2-(4-CHLOROPHENYL)-N-{[5-METHYL-4-(1-PYRROLIDINYLCARBONYL)-1,3-OXAZOL-2-YL]METHYL}ACETAMIDE

T993-0117 Screening compound: 2-(4-CHLOROPHENYL)-N-{[5-METHYL-4-(1-PYRROLIDINYLCARBONYL)-1,3-OXAZOL-2-YL]METHYL}ACETAMIDE
T993-0117 Screening compound: 2-(4-CHLOROPHENYL)-N-{[5-METHYL-4-(1-PYRROLIDINYLCARBONYL)-1,3-OXAZOL-2-YL]METHYL}ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T993-0117
2-(4-CHLOROPHENYL)-N-{[5-METHYL-4-(1-PYRROLIDINYLCARBONYL)-1,3-OXAZOL-2-YL]METHYL}ACETAMIDE

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

T993-0117

Molecular Formula

C18H20ClN3O3 (C18 H20 ClN3 O3)

Compound Name

2-(4-CHLOROPHENYL)-N-{[5-METHYL-4-(1-PYRROLIDINYLCARBONYL)-1,3-OXAZOL-2-YL]METHYL}ACETAMIDE

IUPAC name

n/a

SMILES

Cc1c(C(N2CCCC2)=O)nc(CNC(Cc(cc2)ccc2Cl)=O)o1

InChI

InChI=1S/C18H20ClN3O3/c1-12-17(18(24)22-8-2-3-9-22)21-16(25-12)11-20-15(23)10-13-4-6-14(19)7-5-13/h4-7H,2-3,8-11H2,1H3,(H,20,23)

InChI Key

ZHXFTOBWRDTVFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.461

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-3.34

Polar Surface Area

59.017

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

T993-0117 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with T993-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T993-0117?
Check Price and Availability of T993-0117, 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 T993-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T993-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T993-0117
  • 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 T993-0117 available by request