1977-0068 Screening compound: 2-(2-{[(5Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

1977-0068 Screening compound: 2-(2-{[(5Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
1977-0068 Screening compound: 2-(2-{[(5Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1977-0068
2-(2-{[(5Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

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

1977-0068

Molecular Formula

C18H16N4O4S2 (C18 H16 N4 O4 S2)

Compound Name

2-(2-{[(5Z)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(2-{[(5Z)-3-[(46-dimethylpyrimidin-2-yl)amino]-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

SMILES

Cc1nc(NN(C(/C(/S2)=C/c(cccc3)c3OCC(O)=O)=O)C2=S)nc(C)c1

InChI

InChI=1S/C18H16N4O4S2/c1-10-7-11(2)20-17(19-10)21-22-16(25)14(28-18(22)27)8-12-5-3-4-6-13(12)26-9-15(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H,19,20,21)

InChI Key

OWTCEWVGCFZZAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00818924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.632

Distribution Coefficient, logD

-1.605

Water Solubility, LogSw

-2.95

Polar Surface Area

83.953

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1977-0068 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1977-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1977-0068?
Check Price and Availability of 1977-0068, 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 1977-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1977-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1977-0068
  • 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 1977-0068 available by request