2368-0243 Screening compound: (5Z)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

2368-0243 Screening compound: (5Z)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
2368-0243 Screening compound: (5Z)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0243
(5Z)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

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

2368-0243

Molecular Formula

C21H11BrClN3O6 (C21 H11 BrClN3 O6)

Compound Name

(5Z)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-13-diazinane-246-trione

SMILES

[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=C(/C(NC(N2c(cc3)ccc3Cl)=O)=O)\C2=O)o1)=O

InChI

InChI=1S/C21H11BrClN3O6/c22-17-9-13(26(30)31)5-7-15(17)18-8-6-14(32-18)10-16-19(27)24-21(29)25(20(16)28)12-3-1-11(23)2-4-12/h1-10H,(H,24,27,29)

InChI Key

HFQSPHDPKHUUAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.928

Distribution Coefficient, logD

4.615

Water Solubility, LogSw

-5.17

Polar Surface Area

94.342

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2368-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2368-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0243
  • 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 2368-0243 available by request