D413-0405 Screening compound: N-[5-(4-bromophenyl)-7-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethane-1-sulfonamide

D413-0405 Screening compound: N-[5-(4-bromophenyl)-7-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethane-1-sulfonamide
D413-0405 Screening compound: N-[5-(4-bromophenyl)-7-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethane-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0405
N-[5-(4-bromophenyl)-7-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethane-1-sulfonamide

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

D413-0405

Molecular Formula

C19H17BrClN5O2S (C19 H17 BrClN5 O2 S)

Compound Name

N-[5-(4-bromophenyl)-7-(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethane-1-sulfonamide

IUPAC name

N-[5-(4-bromophenyl)-7-(4-chlorophenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]ethane-1-sulfonamide

SMILES

CCS(Nc1nn(C(C=C(c(cc2)ccc2Br)N2)c(cc3)ccc3Cl)c2n1)(=O)=O

InChI

InChI=1S/C19H17BrClN5O2S/c1-2-29(27,28)25-18-23-19-22-16(12-3-7-14(20)8-4-12)11-17(26(19)24-18)13-5-9-15(21)10-6-13/h3-11,17H,2H2,1H3,(H2,22,23,24,25)/t17-/m1/s1

InChI Key

GSRKQINRTWBTSQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06666058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.226

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-6.07

Polar Surface Area

81.342

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

D413-0405 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D413-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0405?
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What is the minimum amount of D413-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0405
  • 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 D413-0405 available by request