C748-1400 Screening compound: ethyl 4-[2-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate

C748-1400 Screening compound: ethyl 4-[2-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate
C748-1400 Screening compound: ethyl 4-[2-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C748-1400
ethyl 4-[2-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-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

C748-1400

Molecular Formula

C23H30ClN5O4 (C23 H30 ClN5 O4)

Compound Name

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

IUPAC name

ethyl 4-[2-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-34-dioxocyclobut-1-en-1-yl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(C1=O)=O)=C1NCCN(CC1)CCN1c1cccc(Cl)c1)=O

InChI

InChI=1S/C23H30ClN5O4/c1-2-33-23(32)29-14-12-28(13-15-29)20-19(21(30)22(20)31)25-6-7-26-8-10-27(11-9-26)18-5-3-4-17(24)16-18/h3-5,16,25H,2,6-15H2,1H3

InChI Key

JVHAHNICZYEIQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.351

Distribution Coefficient, logD

2.304

Water Solubility, LogSw

-3.52

Polar Surface Area

70.723

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C748-1400 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 C748-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C748-1400?
Check Price and Availability of C748-1400, 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 C748-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C748-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C748-1400
  • 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 C748-1400 available by request