6218-0011 Screening compound: methyl 2-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzoate

6218-0011 Screening compound: methyl 2-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzoate
6218-0011 Screening compound: methyl 2-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6218-0011
methyl 2-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzoate

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

6218-0011

Molecular Formula

C14H15N5O3S (C14 H15 N5 O3 S)

Compound Name

methyl 2-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzoate

IUPAC name

methyl 2-{2-[(46-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzoate

SMILES

COC(c(cccc1)c1NC(CSc1nc(N)cc(N)n1)=O)=O

InChI

InChI=1S/C14H15N5O3S/c1-22-13(21)8-4-2-3-5-9(8)17-12(20)7-23-14-18-10(15)6-11(16)19-14/h2-6H,7H2,1H3,(H,17,20)(H4,15,16,18,19)

InChI Key

MAOXUGRAIRXBQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02228556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.229

Distribution Coefficient, logD

1.216

Water Solubility, LogSw

-2.46

Polar Surface Area

102.158

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6218-0011 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 6218-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6218-0011?
Check Price and Availability of 6218-0011, 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 6218-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6218-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6218-0011
  • 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 6218-0011 available by request