T993-0879 Screening compound: 4-(DIMETHYLAMINO)-N-{[5-METHYL-4-(4-METHYLPIPERIDINE-1-CARBONYL)-1,3-OXAZOL-2-YL]METHYL}BENZAMIDE

T993-0879 Screening compound: 4-(DIMETHYLAMINO)-N-{[5-METHYL-4-(4-METHYLPIPERIDINE-1-CARBONYL)-1,3-OXAZOL-2-YL]METHYL}BENZAMIDE
T993-0879 Screening compound: 4-(DIMETHYLAMINO)-N-{[5-METHYL-4-(4-METHYLPIPERIDINE-1-CARBONYL)-1,3-OXAZOL-2-YL]METHYL}BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T993-0879
4-(DIMETHYLAMINO)-N-{[5-METHYL-4-(4-METHYLPIPERIDINE-1-CARBONYL)-1,3-OXAZOL-2-YL]METHYL}BENZAMIDE

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

T993-0879

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

4-(DIMETHYLAMINO)-N-{[5-METHYL-4-(4-METHYLPIPERIDINE-1-CARBONYL)-1,3-OXAZOL-2-YL]METHYL}BENZAMIDE

IUPAC name

n/a

SMILES

CC(CC1)CCN1C(c1c(C)oc(CNC(c(cc2)ccc2N(C)C)=O)n1)=O

InChI

InChI=1S/C21H28N4O3/c1-14-9-11-25(12-10-14)21(27)19-15(2)28-18(23-19)13-22-20(26)16-5-7-17(8-6-16)24(3)4/h5-8,14H,9-13H2,1-4H3,(H,22,26)

InChI Key

BWRYWIMXADVNLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.688

Distribution Coefficient, logD

2.688

Water Solubility, LogSw

-3.01

Polar Surface Area

61.669

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

T993-0879 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T993-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T993-0879?
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What is the minimum amount of T993-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T993-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T993-0879
  • 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 T993-0879 available by request