8002-3973 Screening compound: 2,4-dibromo-6-[(E)-(2-{4-[(2,5-dimethylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]benzene-1,3-diol

8002-3973 Screening compound: 2,4-dibromo-6-[(E)-(2-{4-[(2,5-dimethylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]benzene-1,3-diol
8002-3973 Screening compound: 2,4-dibromo-6-[(E)-(2-{4-[(2,5-dimethylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]benzene-1,3-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-3973
2,4-dibromo-6-[(E)-(2-{4-[(2,5-dimethylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]benzene-1,3-diol

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

8002-3973

Molecular Formula

C22H23Br2N7O3 (C22 H23 Br2 N7 O3)

Compound Name

2,4-dibromo-6-[(E)-(2-{4-[(2,5-dimethylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]benzene-1,3-diol

IUPAC name

24-dibromo-6-[(E)-(2-{4-[(25-dimethylphenyl)amino]-6-(morpholin-4-yl)-135-triazin-2-yl}hydrazin-1-ylidene)methyl]benzene-13-diol

SMILES

Cc1cc(Nc2nc(N/N=C/c(cc(c(O)c3Br)Br)c3O)nc(N3CCOCC3)n2)c(C)cc1

InChI

InChI=1S/C22H23Br2N7O3/c1-12-3-4-13(2)16(9-12)26-20-27-21(29-22(28-20)31-5-7-34-8-6-31)30-25-11-14-10-15(23)19(33)17(24)18(14)32/h3-4,9-11,32-33H,5-8H2,1-2H3,(H2,26,27,28,29,30)

InChI Key

TUSYTBWWHXUDMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.549

Distribution Coefficient, logD

6.116

Water Solubility, LogSw

-5.55

Polar Surface Area

102.971

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 8002-3973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-3973?
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What is the minimum amount of 8002-3973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-3973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-3973
  • 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 8002-3973 available by request