1189-2368 Screening compound: 3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-7-octyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

1189-2368 Screening compound: 3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-7-octyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
1189-2368 Screening compound: 3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-7-octyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-2368
3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-7-octyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

1189-2368

Molecular Formula

C21H27N7O4 (C21 H27 N7 O4)

Compound Name

3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-7-octyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-7-octyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCCCCCn1c(N/N=C/c(cc2)ccc2[N+]([O-])=O)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C21H27N7O4/c1-3-4-5-6-7-8-13-27-17-18(26(2)21(30)24-19(17)29)23-20(27)25-22-14-15-9-11-16(12-10-15)28(31)32/h9-12,14H,3-8,13H2,1-2H3,(H,23,25)(H,24,29,30)

InChI Key

YRXRWILPFYDPEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00620745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.347

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.20

Polar Surface Area

108.294

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

1189-2368 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1189-2368 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1189-2368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-2368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-2368
  • 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 1189-2368 available by request