D053-0286 Screening compound: 5-chloro-N~4~-(3-chlorobenzyl)-N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(methylsulfonyl)-4-pyrimidinecarboxamide

D053-0286 Screening compound: 5-chloro-N~4~-(3-chlorobenzyl)-N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(methylsulfonyl)-4-pyrimidinecarboxamide
D053-0286 Screening compound: 5-chloro-N~4~-(3-chlorobenzyl)-N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(methylsulfonyl)-4-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0286
5-chloro-N~4~-(3-chlorobenzyl)-N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(methylsulfonyl)-4-pyrimidinecarboxamide

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

D053-0286

Molecular Formula

C17H17Cl2N3O5S2 (C17 H17 Cl2 N3 O5 S2)

Compound Name

5-chloro-N~4~-(3-chlorobenzyl)-N~4~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(methylsulfonyl)-4-pyrimidinecarboxamide

IUPAC name

5-chloro-N-[(3-chlorophenyl)methyl]-N-(11-dioxo-1lambda6-thiolan-3-yl)-2-methanesulfonylpyrimidine-4-carboxamide

SMILES

CS(c(nc1)nc(C(N(Cc2cc(Cl)ccc2)C(CC2)CS2(=O)=O)=O)c1Cl)(=O)=O

InChI

InChI=1S/C17H17Cl2N3O5S2/c1-28(24,25)17-20-8-14(19)15(21-17)16(23)22(13-5-6-29(26,27)10-13)9-11-3-2-4-12(18)7-11/h2-4,7-8,13H,5-6,9-10H2,1H3/t13-/m0/s1

InChI Key

VKWUHCPFJGABLW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06647804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.128

Distribution Coefficient, logD

1.128

Water Solubility, LogSw

-2.63

Polar Surface Area

93.022

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-6.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D053-0286 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D053-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0286?
Check Price and Availability of D053-0286, 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 D053-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0286
  • 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 D053-0286 available by request