3993-4044 Screening compound: 3-chloro-1-(2-{3-chloro-4-[(2-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)-4-[(2-methoxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione

3993-4044 Screening compound: 3-chloro-1-(2-{3-chloro-4-[(2-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)-4-[(2-methoxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
3993-4044 Screening compound: 3-chloro-1-(2-{3-chloro-4-[(2-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)-4-[(2-methoxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-4044
3-chloro-1-(2-{3-chloro-4-[(2-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)-4-[(2-methoxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione

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

3993-4044

Molecular Formula

C28H20Cl2N4O6 (C28 H20 Cl2 N4 O6)

Compound Name

3-chloro-1-(2-{3-chloro-4-[(2-methoxyphenyl)amino]-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)-4-[(2-methoxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-chloro-1-(2-{3-chloro-4-[(2-methoxyphenyl)amino]-25-dioxo-25-dihydro-1H-pyrrol-1-yl}phenyl)-4-[(2-methoxyphenyl)amino]-25-dihydro-1H-pyrrole-25-dione

SMILES

COc(cccc1)c1NC(C(N(C1=O)c(cccc2)c2N(C(C(Nc(cccc2)c2OC)=C2Cl)=O)C2=O)=O)=C1Cl

InChI

InChI=1S/C28H20Cl2N4O6/c1-39-19-13-7-3-9-15(19)31-23-21(29)25(35)33(27(23)37)17-11-5-6-12-18(17)34-26(36)22(30)24(28(34)38)32-16-10-4-8-14-20(16)40-2/h3-14,31-32H,1-2H3

InChI Key

BNHGUXDBSJTQPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.006

Water Solubility, LogSw

-4.47

Polar Surface Area

89.551

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 3993-4044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-4044?
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What is the minimum amount of 3993-4044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-4044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-4044
  • 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 3993-4044 available by request