K400-02007 Screening compound: N-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-4-tert-butylbenzamide

K400-02007 Screening compound: N-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-4-tert-butylbenzamide
K400-02007 Screening compound: N-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-4-tert-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-02007
N-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-4-tert-butylbenzamide

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

K400-02007

Molecular Formula

C27H26BrClN4OS (C27 H26 BrClN4 OS)

Compound Name

N-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-4-tert-butylbenzamide

IUPAC name

N-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(3-chlorophenyl)-4H-124-triazol-3-yl)methyl]-4-tert-butylbenzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NCc(n1-c2cc(Cl)ccc2)nnc1SCc(cc1)ccc1Br)=O

InChI

InChI=1S/C27H26BrClN4OS/c1-27(2,3)20-11-9-19(10-12-20)25(34)30-16-24-31-32-26(33(24)23-6-4-5-22(29)15-23)35-17-18-7-13-21(28)14-8-18/h4-15H,16-17H2,1-3H3,(H,30,34)

InChI Key

NPJPONFMRTWQIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.155

Distribution Coefficient, logD

7.155

Water Solubility, LogSw

-6.36

Polar Surface Area

50.374

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K400-02007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-02007?
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What is the minimum amount of K400-02007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-02007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-02007
  • 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 K400-02007 available by request