3720-2212 Screening compound: 2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl}-6-nitrobenzoic acid

3720-2212 Screening compound: 2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl}-6-nitrobenzoic acid
3720-2212 Screening compound: 2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl}-6-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3720-2212
2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl}-6-nitrobenzoic 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

3720-2212

Molecular Formula

C18H13N3O5S (C18 H13 N3 O5 S)

Compound Name

2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl}-6-nitrobenzoic acid

IUPAC name

2-{[4-(4-methylphenyl)-13-thiazol-2-yl]carbamoyl}-6-nitrobenzoic acid

SMILES

Cc(cc1)ccc1-c1csc(NC(c2c(C(O)=O)c([N+]([O-])=O)ccc2)=O)n1

InChI

InChI=1S/C18H13N3O5S/c1-10-5-7-11(8-6-10)13-9-27-18(19-13)20-16(22)12-3-2-4-14(21(25)26)15(12)17(23)24/h2-9H,1H3,(H,23,24)(H,19,20,22)

InChI Key

ZTBPWJOAMTTZRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01627754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

-1.951

Water Solubility, LogSw

-4.40

Polar Surface Area

94.593

Acid Dissociation Constant (pKa)

1.25

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3720-2212 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3720-2212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3720-2212?
Check Price and Availability of 3720-2212, 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 3720-2212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3720-2212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3720-2212
  • 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 3720-2212 available by request