5628-0609 Screening compound: methyl 3-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate

5628-0609 Screening compound: methyl 3-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate
5628-0609 Screening compound: methyl 3-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5628-0609
methyl 3-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate

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

5628-0609

Molecular Formula

C13H12N4O6S (C13 H12 N4 O6 S)

Compound Name

methyl 3-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate

IUPAC name

methyl 3-{[5-(methoxymethyl)-134-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate

SMILES

COCc1nnc(NC(c2cc([N+]([O-])=O)cc(C(OC)=O)c2)=O)s1

InChI

InChI=1S/C13H12N4O6S/c1-22-6-10-15-16-13(24-10)14-11(18)7-3-8(12(19)23-2)5-9(4-7)17(20)21/h3-5H,6H2,1-2H3,(H,14,16,18)

InChI Key

DHLZHROBEUDGOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04209140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.005

Distribution Coefficient, logD

-0.225

Water Solubility, LogSw

-2.69

Polar Surface Area

110.349

Acid Dissociation Constant (pKa)

5.17

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5628-0609 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5628-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5628-0609?
Check Price and Availability of 5628-0609, 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 5628-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5628-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5628-0609
  • 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 5628-0609 available by request