D053-0093 Screening compound: butyl 4-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]benzoate

D053-0093 Screening compound: butyl 4-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]benzoate
D053-0093 Screening compound: butyl 4-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0093
butyl 4-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]benzoate

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

D053-0093

Molecular Formula

C18H20ClN3O5S (C18 H20 ClN3 O5 S)

Compound Name

butyl 4-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]benzoate

IUPAC name

butyl 4-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(c(nc(nc1)S(CC)(=O)=O)c1Cl)=O)=O

InChI

InChI=1S/C18H20ClN3O5S/c1-3-5-10-27-17(24)12-6-8-13(9-7-12)21-16(23)15-14(19)11-20-18(22-15)28(25,26)4-2/h6-9,11H,3-5,10H2,1-2H3,(H,21,23)

InChI Key

XHUSXQGKKHAUAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.89

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.907

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-4.27

Polar Surface Area

92.827

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D053-0093 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D053-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0093?
Check Price and Availability of D053-0093, 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 D053-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0093
  • 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 D053-0093 available by request