4340-0556 Screening compound: N~1~-(3-bromophenyl)-2-{2-oxo-3-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]-2,3-dihydro-1H-indol-1-yl}acetamide

4340-0556 Screening compound: N~1~-(3-bromophenyl)-2-{2-oxo-3-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]-2,3-dihydro-1H-indol-1-yl}acetamide
4340-0556 Screening compound: N~1~-(3-bromophenyl)-2-{2-oxo-3-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]-2,3-dihydro-1H-indol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-0556
N~1~-(3-bromophenyl)-2-{2-oxo-3-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]-2,3-dihydro-1H-indol-1-yl}acetamide

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

4340-0556

Molecular Formula

C25H15BrN4O3S (C25 H15 BrN4 O3 S)

Compound Name

N~1~-(3-bromophenyl)-2-{2-oxo-3-[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]-2,3-dihydro-1H-indol-1-yl}acetamide

IUPAC name

N-(3-bromophenyl)-2-{2-oxo-3-[(4E)-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]-23-dihydro-1H-indol-1-yl}acetamide

SMILES

O=C(CN(c(cccc1)c1/C1=C2\Sc3nc(cccc4)c4n3C2=O)C1=O)Nc1cccc(Br)c1

InChI

InChI=1S/C25H15BrN4O3S/c26-14-6-5-7-15(12-14)27-20(31)13-29-18-10-3-1-8-16(18)21(23(29)32)22-24(33)30-19-11-4-2-9-17(19)28-25(30)34-22/h1-12H,13H2,(H,27,31)

InChI Key

NTKPYALRPNUPRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02985290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.648

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.67

Polar Surface Area

63.071

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

References: we are preparing a list of scientific research reports with 4340-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-0556?
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What is the minimum amount of 4340-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-0556
  • 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 4340-0556 available by request