8017-0347 Screening compound: 4-(6-METHOXY-1H-INDOL-3-YL)-1,4-DIHYDRO[1,3,5]TRIAZINO[1,2-A][1,3]BENZIMIDAZOL-2-AMINE

8017-0347 Screening compound: 4-(6-METHOXY-1H-INDOL-3-YL)-1,4-DIHYDRO[1,3,5]TRIAZINO[1,2-A][1,3]BENZIMIDAZOL-2-AMINE
8017-0347 Screening compound: 4-(6-METHOXY-1H-INDOL-3-YL)-1,4-DIHYDRO[1,3,5]TRIAZINO[1,2-A][1,3]BENZIMIDAZOL-2-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0347
4-(6-METHOXY-1H-INDOL-3-YL)-1,4-DIHYDRO[1,3,5]TRIAZINO[1,2-A][1,3]BENZIMIDAZOL-2-AMINE

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

8017-0347

Molecular Formula

C18H16N6O (C18 H16 N6 O)

Compound Name

4-(6-METHOXY-1H-INDOL-3-YL)-1,4-DIHYDRO[1,3,5]TRIAZINO[1,2-A][1,3]BENZIMIDAZOL-2-AMINE

IUPAC name

n/a

SMILES

COc(cc1)cc2c1c(C1N=C(N)Nc3nc(cccc4)c4n13)c[nH]2

InChI

InChI=1S/C18H16N6O/c1-25-10-6-7-11-12(9-20-14(11)8-10)16-22-17(19)23-18-21-13-4-2-3-5-15(13)24(16)18/h2-9,16,20H,1H3,(H3,19,21,22,23)/t16-/m1/s1

InChI Key

KLTQBYJBTFFGOR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06013573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

2.887

Water Solubility, LogSw

-3.41

Polar Surface Area

73.713

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

8017-0347 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0347?
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What is the minimum amount of 8017-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0347
  • 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 8017-0347 available by request