C748-0220 Screening compound: ethyl 4-({2-[4-(2-fluorophenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}amino)piperidine-1-carboxylate

C748-0220 Screening compound: ethyl 4-({2-[4-(2-fluorophenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}amino)piperidine-1-carboxylate
C748-0220 Screening compound: ethyl 4-({2-[4-(2-fluorophenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}amino)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C748-0220
ethyl 4-({2-[4-(2-fluorophenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}amino)piperidine-1-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

C748-0220

Molecular Formula

C22H27FN4O4 (C22 H27 FN4 O4)

Compound Name

ethyl 4-({2-[4-(2-fluorophenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}amino)piperidine-1-carboxylate

IUPAC name

ethyl 4-({2-[4-(2-fluorophenyl)piperazin-1-yl]-34-dioxocyclobut-1-en-1-yl}amino)piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(C(C1=O)=O)=C1N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C22H27FN4O4/c1-2-31-22(30)27-9-7-15(8-10-27)24-18-19(21(29)20(18)28)26-13-11-25(12-14-26)17-6-4-3-5-16(17)23/h3-6,15,24H,2,7-14H2,1H3

InChI Key

VXBQYPQUNIVFAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.703

Distribution Coefficient, logD

2.700

Water Solubility, LogSw

-2.98

Polar Surface Area

66.324

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C748-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C748-0220?
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What is the minimum amount of C748-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C748-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C748-0220
  • 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 C748-0220 available by request