C301-9908 Screening compound: ethyl 1-{7-[2-(4-chlorophenyl)acetamido]-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl}piperidine-4-carboxylate

C301-9908 Screening compound: ethyl 1-{7-[2-(4-chlorophenyl)acetamido]-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl}piperidine-4-carboxylate
C301-9908 Screening compound: ethyl 1-{7-[2-(4-chlorophenyl)acetamido]-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9908
ethyl 1-{7-[2-(4-chlorophenyl)acetamido]-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl}piperidine-4-carboxylate

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

C301-9908

Molecular Formula

C26H29ClN4O5 (C26 H29 ClN4 O5)

Compound Name

ethyl 1-{7-[2-(4-chlorophenyl)acetamido]-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{7-[2-(4-chlorophenyl)acetamido]-14-dimethyl-23-dioxo-1234-tetrahydroquinoxalin-6-yl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c(cc(c(N(C)C1=O)c2)N(C)C1=O)c2NC(Cc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C26H29ClN4O5/c1-4-36-26(35)17-9-11-31(12-10-17)20-15-22-21(29(2)24(33)25(34)30(22)3)14-19(20)28-23(32)13-16-5-7-18(27)8-6-16/h5-8,14-15,17H,4,9-13H2,1-3H3,(H,28,32)

InChI Key

ORMGCCNOOYJOAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.880

Water Solubility, LogSw

-3.55

Polar Surface Area

76.683

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

9.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C301-9908 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 C301-9908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9908?
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What is the minimum amount of C301-9908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9908
  • 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 C301-9908 available by request