2542-3857 Screening compound: (2E)-3-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

2542-3857 Screening compound: (2E)-3-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
2542-3857 Screening compound: (2E)-3-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2542-3857
(2E)-3-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

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

2542-3857

Molecular Formula

C23H15ClN4O6S (C23 H15 ClN4 O6 S)

Compound Name

(2E)-3-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

IUPAC name

(2E)-3-[(4-chloro-25-dimethoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]prop-2-enenitrile

SMILES

COc(c(N/C=C(/c1nc(C2=Cc(cc(cc3)[N+]([O-])=O)c3OC2=O)cs1)\C#N)c1)cc(Cl)c1OC

InChI

InChI=1S/C23H15ClN4O6S/c1-32-20-8-17(21(33-2)7-16(20)24)26-10-13(9-25)22-27-18(11-35-22)15-6-12-5-14(28(30)31)3-4-19(12)34-23(15)29/h3-8,10-11,26H,1-2H3

InChI Key

XECITOFKVDIVKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.91

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.032

Distribution Coefficient, logD

5.024

Water Solubility, LogSw

-5.35

Polar Surface Area

107.224

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

2542-3857 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2542-3857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2542-3857?
Check Price and Availability of 2542-3857, 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 2542-3857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2542-3857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2542-3857
  • 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 2542-3857 available by request