T993-1839 Screening compound: N,N-DIETHYL-5-METHYL-2-({[(1-METHYL-1H-PYRROL-2-YL)CARBONYL]AMINO}METHYL)-1,3-OXAZOLE-4-CARBOXAMIDE

T993-1839 Screening compound: N,N-DIETHYL-5-METHYL-2-({[(1-METHYL-1H-PYRROL-2-YL)CARBONYL]AMINO}METHYL)-1,3-OXAZOLE-4-CARBOXAMIDE
T993-1839 Screening compound: N,N-DIETHYL-5-METHYL-2-({[(1-METHYL-1H-PYRROL-2-YL)CARBONYL]AMINO}METHYL)-1,3-OXAZOLE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T993-1839
N,N-DIETHYL-5-METHYL-2-({[(1-METHYL-1H-PYRROL-2-YL)CARBONYL]AMINO}METHYL)-1,3-OXAZOLE-4-CARBOXAMIDE

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

T993-1839

Molecular Formula

C16H22N4O3 (C16 H22 N4 O3)

Compound Name

N,N-DIETHYL-5-METHYL-2-({[(1-METHYL-1H-PYRROL-2-YL)CARBONYL]AMINO}METHYL)-1,3-OXAZOLE-4-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCN(CC)C(c1c(C)oc(CNC(c2cccn2C)=O)n1)=O

InChI

InChI=1S/C16H22N4O3/c1-5-20(6-2)16(22)14-11(3)23-13(18-14)10-17-15(21)12-8-7-9-19(12)4/h7-9H,5-6,10H2,1-4H3,(H,17,21)

InChI Key

NJHCIKPLSGKHKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.934

Distribution Coefficient, logD

1.933

Water Solubility, LogSw

-2.29

Polar Surface Area

60.565

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

T993-1839 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 T993-1839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T993-1839?
Check Price and Availability of T993-1839, 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 T993-1839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T993-1839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T993-1839
  • 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 T993-1839 available by request