D664-0044 Screening compound: 1,3-dimethyl-5-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

D664-0044 Screening compound: 1,3-dimethyl-5-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
D664-0044 Screening compound: 1,3-dimethyl-5-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0044
1,3-dimethyl-5-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

D664-0044

Molecular Formula

C12H15N7O (C12 H15 N7 O)

Compound Name

1,3-dimethyl-5-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

13-dimethyl-5-{[(1-methyl-1H-1234-tetrazol-5-yl)amino]methyl}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(CNc1nnnn1C)c1)c1N1C)C1=O

InChI

InChI=1S/C12H15N7O/c1-17-9-5-4-8(6-10(9)18(2)12(17)20)7-13-11-14-15-16-19(11)3/h4-6H,7H2,1-3H3,(H,13,14,16)

InChI Key

DBYJZIFTCQCJIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07172349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.218

Distribution Coefficient, logD

0.218

Water Solubility, LogSw

-1.92

Polar Surface Area

69.827

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D664-0044 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D664-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0044?
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What is the minimum amount of D664-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0044
  • 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 D664-0044 available by request