C700-0240 Screening compound: ethyl 1-(2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetyl)piperidine-3-carboxylate

C700-0240 Screening compound: ethyl 1-(2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetyl)piperidine-3-carboxylate
C700-0240 Screening compound: ethyl 1-(2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0240
ethyl 1-(2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetyl)piperidine-3-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

C700-0240

Molecular Formula

C24H33N3O7S (C24 H33 N3 O7 S)

Compound Name

ethyl 1-(2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}acetyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(CN1c(cc(cc2)S(N3CCC(C)CC3)(=O)=O)c2OCC1=O)=O)=O

InChI

InChI=1S/C24H33N3O7S/c1-3-33-24(30)18-5-4-10-25(14-18)22(28)15-27-20-13-19(6-7-21(20)34-16-23(27)29)35(31,32)26-11-8-17(2)9-12-26/h6-7,13,17-18H,3-5,8-12,14-16H2,1-2H3/t18-/m0/s1

InChI Key

MYXJHSNUUWOVQY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14784636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.957

Distribution Coefficient, logD

1.957

Water Solubility, LogSw

-2.73

Polar Surface Area

92.859

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

C700-0240 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C700-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0240?
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What is the minimum amount of C700-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0240
  • 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 C700-0240 available by request