D513-3677 Screening compound: 4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-pentylbenzene-1-sulfonamide

D513-3677 Screening compound: 4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-pentylbenzene-1-sulfonamide
D513-3677 Screening compound: 4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-pentylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D513-3677
4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-pentylbenzene-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

D513-3677

Molecular Formula

C18H21Cl2N5O2S (C18 H21 Cl2 N5 O2 S)

Compound Name

4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-pentylbenzene-1-sulfonamide

IUPAC name

4-chloro-N-{6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-N-pentylbenzene-1-sulfonamide

SMILES

CCCCCN(c(nc1nc2C)nn1c(C)c2Cl)S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C18H21Cl2N5O2S/c1-4-5-6-11-24(28(26,27)15-9-7-14(19)8-10-15)18-22-17-21-12(2)16(20)13(3)25(17)23-18/h7-10H,4-6,11H2,1-3H3

InChI Key

WDKXYHFFGYTQLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.931

Distribution Coefficient, logD

4.931

Water Solubility, LogSw

-4.97

Polar Surface Area

62.107

Acid Dissociation Constant (pKa)

19.27

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D513-3677 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D513-3677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D513-3677?
Check Price and Availability of D513-3677, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D513-3677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D513-3677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D513-3677
  • 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 D513-3677 available by request