D513-3645 Screening compound: methyl 2-(N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}4-methylbenzenesulfonamido)acetate

D513-3645 Screening compound: methyl 2-(N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}4-methylbenzenesulfonamido)acetate
D513-3645 Screening compound: methyl 2-(N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}4-methylbenzenesulfonamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D513-3645
methyl 2-(N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}4-methylbenzenesulfonamido)acetate

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

D513-3645

Molecular Formula

C17H18ClN5O4S (C17 H18 ClN5 O4 S)

Compound Name

methyl 2-(N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}4-methylbenzenesulfonamido)acetate

IUPAC name

methyl 2-(N-{6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}4-methylbenzenesulfonamido)acetate

SMILES

Cc(cc1)ccc1S(N(CC(OC)=O)c(nc1nc2C)nn1c(C)c2Cl)(=O)=O

InChI

InChI=1S/C17H18ClN5O4S/c1-10-5-7-13(8-6-10)28(25,26)22(9-14(24)27-4)17-20-16-19-11(2)15(18)12(3)23(16)21-17/h5-8H,9H2,1-4H3

InChI Key

VYCXJXJKXMNGBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.88

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.502

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-3.28

Polar Surface Area

82.707

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D513-3645 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D513-3645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D513-3645?
Check Price and Availability of D513-3645, 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 D513-3645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D513-3645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D513-3645
  • 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 D513-3645 available by request