K786-2849 Screening compound: 2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate

K786-2849 Screening compound: 2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate
K786-2849 Screening compound: 2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2849
2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate

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

K786-2849

Molecular Formula

C19H19ClN4O5S (C19 H19 ClN4 O5 S)

Compound Name

2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate

IUPAC name

2-[(7-{[(4-chlorophenyl)methyl]sulfanyl}-4-nitro-213-benzoxadiazol-5-yl)amino]ethyl butanoate

SMILES

CCCC(OCCNc(cc(c1nonc11)SCc(cc2)ccc2Cl)c1[N+]([O-])=O)=O

InChI

InChI=1S/C19H19ClN4O5S/c1-2-3-16(25)28-9-8-21-14-10-15(30-11-12-4-6-13(20)7-5-12)17-18(23-29-22-17)19(14)24(26)27/h4-7,10,21H,2-3,8-9,11H2,1H3

InChI Key

NLOKPRLWDTVJAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.9

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.344

Distribution Coefficient, logD

5.344

Water Solubility, LogSw

-5.80

Polar Surface Area

99.709

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with K786-2849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2849?
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What is the minimum amount of K786-2849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2849
  • 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 K786-2849 available by request