1492-0420 Screening compound: N-(2,2,2-trichloro-1-{6-oxo-9-[2,2,2-trichloro-1-(phenylformamido)ethyl]-6,9-dihydro-1H-purin-1-yl}ethyl)benzamide

1492-0420 Screening compound: N-(2,2,2-trichloro-1-{6-oxo-9-[2,2,2-trichloro-1-(phenylformamido)ethyl]-6,9-dihydro-1H-purin-1-yl}ethyl)benzamide
1492-0420 Screening compound: N-(2,2,2-trichloro-1-{6-oxo-9-[2,2,2-trichloro-1-(phenylformamido)ethyl]-6,9-dihydro-1H-purin-1-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1492-0420
N-(2,2,2-trichloro-1-{6-oxo-9-[2,2,2-trichloro-1-(phenylformamido)ethyl]-6,9-dihydro-1H-purin-1-yl}ethyl)benzamide

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

1492-0420

Molecular Formula

C23H16Cl6N6O3 (C23 H16 Cl6 N6 O3)

Compound Name

N-(2,2,2-trichloro-1-{6-oxo-9-[2,2,2-trichloro-1-(phenylformamido)ethyl]-6,9-dihydro-1H-purin-1-yl}ethyl)benzamide

IUPAC name

N-(222-trichloro-1-{6-oxo-9-[222-trichloro-1-(phenylformamido)ethyl]-69-dihydro-1H-purin-1-yl}ethyl)benzamide

SMILES

O=C(c1ccccc1)NC(C(Cl)(Cl)Cl)n1c(N=CN(C(C(Cl)(Cl)Cl)NC(c2ccccc2)=O)C2=O)c2nc1

InChI

InChI=1S/C23H16Cl6N6O3/c24-22(25,26)20(32-17(36)13-7-3-1-4-8-13)34-11-30-15-16(34)31-12-35(19(15)38)21(23(27,28)29)33-18(37)14-9-5-2-6-10-14/h1-12,20-21H,(H,32,36)(H,33,37)

InChI Key

APALXTGFRBYNJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00496825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

637.13

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

2.409

Water Solubility, LogSw

-4.57

Polar Surface Area

83.407

Acid Dissociation Constant (pKa)

5.58

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.39

References: we are preparing a list of scientific research reports with 1492-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1492-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1492-0420
  • 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 1492-0420 available by request