7861-1043 Screening compound: methyl 4-(3-{[4-(morpholin-4-yl)phenyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

7861-1043 Screening compound: methyl 4-(3-{[4-(morpholin-4-yl)phenyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate
7861-1043 Screening compound: methyl 4-(3-{[4-(morpholin-4-yl)phenyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7861-1043
methyl 4-(3-{[4-(morpholin-4-yl)phenyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

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

7861-1043

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

methyl 4-(3-{[4-(morpholin-4-yl)phenyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

IUPAC name

methyl 4-(3-{[4-(morpholin-4-yl)phenyl]amino}-25-dioxopyrrolidin-1-yl)benzoate

SMILES

COC(c(cc1)ccc1N(C(CC1Nc(cc2)ccc2N2CCOCC2)=O)C1=O)=O

InChI

InChI=1S/C22H23N3O5/c1-29-22(28)15-2-6-18(7-3-15)25-20(26)14-19(21(25)27)23-16-4-8-17(9-5-16)24-10-12-30-13-11-24/h2-9,19,23H,10-14H2,1H3/t19-/m0/s1

InChI Key

HYCMRBOWNVDXTB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02966191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.733

Distribution Coefficient, logD

1.732

Water Solubility, LogSw

-2.21

Polar Surface Area

72.122

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

7861-1043 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 7861-1043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7861-1043?
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What is the minimum amount of 7861-1043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7861-1043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7861-1043
  • 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 7861-1043 available by request