8005-6798 Screening compound: 3,4-dibromo-2-[(E)-({3-[(E)-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino]-5-{5-[(E)-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino]-1,3-benzoxazol-2-yl}phenyl}imino)methyl]-6-methoxyphenol

8005-6798 Screening compound: 3,4-dibromo-2-[(E)-({3-[(E)-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino]-5-{5-[(E)-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino]-1,3-benzoxazol-2-yl}phenyl}imino)methyl]-6-methoxyphenol
8005-6798 Screening compound: 3,4-dibromo-2-[(E)-({3-[(E)-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino]-5-{5-[(E)-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino]-1,3-benzoxazol-2-yl}phenyl}imino)methyl]-6-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6798
3,4-dibromo-2-[(E)-({3-[(E)-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino]-5-{5-[(E)-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino]-1,3-benzoxazol-2-yl}phenyl}imino)methyl]-6-methoxyphenol

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

8005-6798

Molecular Formula

C37H24Br6N4O7 (C37 H24 Br6 N4 O7)

Compound Name

3,4-dibromo-2-[(E)-({3-[(E)-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino]-5-{5-[(E)-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino]-1,3-benzoxazol-2-yl}phenyl}imino)methyl]-6-methoxyphenol

IUPAC name

34-dibromo-2-[(E)-({3-[(E)-[(23-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino]-5-{5-[(E)-[(23-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino]-13-benzoxazol-2-yl}phenyl}imino)methyl]-6-methoxyphenol

SMILES

COc(cc(c(Br)c1/C=N/c(cc2)cc3c2oc(-c2cc(/N=C/c(c(Br)c(cc4OC)Br)c4O)cc(/N=C/c(c(O)c(cc4Br)OC)c4Br)c2)n3)Br)c1O

InChI

InChI=1S/C37H24Br6N4O7/c1-51-28-10-23(38)31(41)20(34(28)48)13-44-17-4-5-27-26(9-17)47-37(54-27)16-6-18(45-14-21-32(42)24(39)11-29(52-2)35(21)49)8-19(7-16)46-15-22-33(43)25(40)12-30(53-3)36(22)50/h4-15,48-50H,1-3H3

InChI Key

YFAJYEVLEYIMGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

1116.04

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

10.291

Distribution Coefficient, logD

9.823

Water Solubility, LogSw

-5.74

Polar Surface Area

110.760

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.10

8005-6798 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8005-6798 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 8005-6798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6798
  • 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 8005-6798 available by request