8010-4327 Screening compound: 2-({2-nitro-4-[(E)-(2-{4-nitro-2-[(4-phenylpiperidin-1-yl)sulfonyl]phenyl}hydrazin-1-ylidene)methyl]phenyl}sulfanyl)-1,3-benzothiazole

8010-4327 Screening compound: 2-({2-nitro-4-[(E)-(2-{4-nitro-2-[(4-phenylpiperidin-1-yl)sulfonyl]phenyl}hydrazin-1-ylidene)methyl]phenyl}sulfanyl)-1,3-benzothiazole
8010-4327 Screening compound: 2-({2-nitro-4-[(E)-(2-{4-nitro-2-[(4-phenylpiperidin-1-yl)sulfonyl]phenyl}hydrazin-1-ylidene)methyl]phenyl}sulfanyl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4327
2-({2-nitro-4-[(E)-(2-{4-nitro-2-[(4-phenylpiperidin-1-yl)sulfonyl]phenyl}hydrazin-1-ylidene)methyl]phenyl}sulfanyl)-1,3-benzothiazole

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

8010-4327

Molecular Formula

C31H26N6O6S3 (C31 H26 N6 O6 S3)

Compound Name

2-({2-nitro-4-[(E)-(2-{4-nitro-2-[(4-phenylpiperidin-1-yl)sulfonyl]phenyl}hydrazin-1-ylidene)methyl]phenyl}sulfanyl)-1,3-benzothiazole

IUPAC name

2-({2-nitro-4-[(E)-(2-{4-nitro-2-[(4-phenylpiperidin-1-yl)sulfonyl]phenyl}hydrazin-1-ylidene)methyl]phenyl}sulfanyl)-13-benzothiazole

SMILES

[O-][N+](c(cc1)cc(S(N(CC2)CCC2c2ccccc2)(=O)=O)c1N/N=C/c(cc1)cc([N+]([O-])=O)c1Sc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C31H26N6O6S3/c38-36(39)24-11-12-26(30(19-24)46(42,43)35-16-14-23(15-17-35)22-6-2-1-3-7-22)34-32-20-21-10-13-29(27(18-21)37(40)41)45-31-33-25-8-4-5-9-28(25)44-31/h1-13,18-20,23,34H,14-17H2

InChI Key

YUWXBJBTLMJOCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01626932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

674.78

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

8.778

Distribution Coefficient, logD

8.778

Water Solubility, LogSw

-6.24

Polar Surface Area

127.389

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

References: we are preparing a list of scientific research reports with 8010-4327 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8010-4327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4327
  • 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 8010-4327 available by request