K781-2671 Screening compound: N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide

K781-2671 Screening compound: N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
K781-2671 Screening compound: N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2671
N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide

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

K781-2671

Molecular Formula

C27H26N4O7S2 (C27 H26 N4 O7 S2)

Compound Name

N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide

IUPAC name

N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide

SMILES

Cc1ccc(CSc(ccc(C(NNC(c(cc2)cc([N+]([O-])=O)c2SCC2OCCC2)=O)=O)c2)c2[N+]([O-])=O)cc1

InChI

InChI=1S/C27H26N4O7S2/c1-17-4-6-18(7-5-17)15-39-24-10-8-19(13-22(24)30(34)35)26(32)28-29-27(33)20-9-11-25(23(14-20)31(36)37)40-16-21-3-2-12-38-21/h4-11,13-14,21H,2-3,12,15-16H2,1H3,(H,28,32)(H,29,33)/t21-/m1/s1

InChI Key

PJVLZBFBZDIFIL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02937028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.66

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.108

Distribution Coefficient, logD

5.056

Water Solubility, LogSw

-4.98

Polar Surface Area

125.707

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

K781-2671 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K781-2671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2671?
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What is the minimum amount of K781-2671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2671
  • 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 K781-2671 available by request