K783-0591 Screening compound: 1-(4-bromophenyl)-5-(2,3-dihydro-1H-indole-1-carbonyl)-2-methyl-1H-1,3-benzodiazole

K783-0591 Screening compound: 1-(4-bromophenyl)-5-(2,3-dihydro-1H-indole-1-carbonyl)-2-methyl-1H-1,3-benzodiazole
K783-0591 Screening compound: 1-(4-bromophenyl)-5-(2,3-dihydro-1H-indole-1-carbonyl)-2-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-0591
1-(4-bromophenyl)-5-(2,3-dihydro-1H-indole-1-carbonyl)-2-methyl-1H-1,3-benzodiazole

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

K783-0591

Molecular Formula

C23H18BrN3O (C23 H18 BrN3 O)

Compound Name

1-(4-bromophenyl)-5-(2,3-dihydro-1H-indole-1-carbonyl)-2-methyl-1H-1,3-benzodiazole

IUPAC name

1-(4-bromophenyl)-5-(23-dihydro-1H-indole-1-carbonyl)-2-methyl-1H-13-benzodiazole

SMILES

Cc1nc(cc(cc2)C(N(CC3)c4c3cccc4)=O)c2n1-c(cc1)ccc1Br

InChI

InChI=1S/C23H18BrN3O/c1-15-25-20-14-17(23(28)26-13-12-16-4-2-3-5-21(16)26)6-11-22(20)27(15)19-9-7-18(24)8-10-19/h2-11,14H,12-13H2,1H3

InChI Key

UIOGXAKIHZBWTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04422142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.909

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-4.60

Polar Surface Area

27.366

Acid Dissociation Constant (pKa)

25.87

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K783-0591 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K783-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-0591?
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What is the minimum amount of K783-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-0591
  • 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 K783-0591 available by request