1994-0245 Screening compound: 6-[(2Z)-2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

1994-0245 Screening compound: 6-[(2Z)-2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
1994-0245 Screening compound: 6-[(2Z)-2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1994-0245
6-[(2Z)-2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

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

1994-0245

Molecular Formula

C27H21ClN8O4 (C27 H21 ClN8 O4)

Compound Name

6-[(2Z)-2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(2Z)-2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-135-triazine-24-diamine

SMILES

COc(cc1)ccc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C\c2ccc(-c(cc3)ccc3Cl)o2)n1

InChI

InChI=1S/C27H21ClN8O4/c1-39-22-12-8-20(9-13-22)31-26-32-25(30-19-6-10-21(11-7-19)36(37)38)33-27(34-26)35-29-16-23-14-15-24(40-23)17-2-4-18(28)5-3-17/h2-16H,1H3,(H3,30,31,32,33,34,35)

InChI Key

VUMSSYQFPRKRNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

8.467

Distribution Coefficient, logD

8.466

Water Solubility, LogSw

-7.02

Polar Surface Area

120.964

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

1994-0245 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1994-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1994-0245?
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What is the minimum amount of 1994-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1994-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1994-0245
  • 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 1994-0245 available by request