6773-2744 Screening compound: 5-acetyl-2-amino-4-(4-bromophenyl)-4H,5H-pyrano[3,2-b]indole-3-carbonitrile

6773-2744 Screening compound: 5-acetyl-2-amino-4-(4-bromophenyl)-4H,5H-pyrano[3,2-b]indole-3-carbonitrile
6773-2744 Screening compound: 5-acetyl-2-amino-4-(4-bromophenyl)-4H,5H-pyrano[3,2-b]indole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6773-2744
5-acetyl-2-amino-4-(4-bromophenyl)-4H,5H-pyrano[3,2-b]indole-3-carbonitrile

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

6773-2744

Molecular Formula

C20H14BrN3O2 (C20 H14 BrN3 O2)

Compound Name

5-acetyl-2-amino-4-(4-bromophenyl)-4H,5H-pyrano[3,2-b]indole-3-carbonitrile

IUPAC name

5-acetyl-2-amino-4-(4-bromophenyl)-4H5H-pyrano[32-b]indole-3-carbonitrile

SMILES

CC(n1c(cccc2)c2c2c1C(c(cc1)ccc1Br)C(C#N)=C(N)O2)=O

InChI

InChI=1S/C20H14BrN3O2/c1-11(25)24-16-5-3-2-4-14(16)19-18(24)17(15(10-22)20(23)26-19)12-6-8-13(21)9-7-12/h2-9,17H,23H2,1H3/t17-/m0/s1

InChI Key

HXZITPILKSKMLO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01605418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.720

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-4.28

Polar Surface Area

61.498

Acid Dissociation Constant (pKa)

15.57

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

6773-2744 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6773-2744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6773-2744?
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What is the minimum amount of 6773-2744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6773-2744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6773-2744
  • 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 6773-2744 available by request