D299-1172 Screening compound: N-(3-chloro-4-methylphenyl)-2-(ethanesulfonyl)-5-{[(furan-2-yl)methyl][(5-methylfuran-2-yl)methyl]amino}pyrimidine-4-carboxamide

D299-1172 Screening compound: N-(3-chloro-4-methylphenyl)-2-(ethanesulfonyl)-5-{[(furan-2-yl)methyl][(5-methylfuran-2-yl)methyl]amino}pyrimidine-4-carboxamide
D299-1172 Screening compound: N-(3-chloro-4-methylphenyl)-2-(ethanesulfonyl)-5-{[(furan-2-yl)methyl][(5-methylfuran-2-yl)methyl]amino}pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-1172
N-(3-chloro-4-methylphenyl)-2-(ethanesulfonyl)-5-{[(furan-2-yl)methyl][(5-methylfuran-2-yl)methyl]amino}pyrimidine-4-carboxamide

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

D299-1172

Molecular Formula

C25H25ClN4O5S (C25 H25 ClN4 O5 S)

Compound Name

N-(3-chloro-4-methylphenyl)-2-(ethanesulfonyl)-5-{[(furan-2-yl)methyl][(5-methylfuran-2-yl)methyl]amino}pyrimidine-4-carboxamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-(ethanesulfonyl)-5-{[(furan-2-yl)methyl][(5-methylfuran-2-yl)methyl]amino}pyrimidine-4-carboxamide

SMILES

CCS(c(nc1C(Nc2cc(Cl)c(C)cc2)=O)ncc1N(Cc1ccco1)Cc1ccc(C)o1)(=O)=O

InChI

InChI=1S/C25H25ClN4O5S/c1-4-36(32,33)25-27-13-22(23(29-25)24(31)28-18-9-7-16(2)21(26)12-18)30(14-19-6-5-11-34-19)15-20-10-8-17(3)35-20/h5-13H,4,14-15H2,1-3H3,(H,28,31)

InChI Key

WBOGNURKRBVIPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.02

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.352

Distribution Coefficient, logD

5.266

Water Solubility, LogSw

-5.89

Polar Surface Area

89.233

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D299-1172 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 D299-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-1172?
Check Price and Availability of D299-1172, 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 D299-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-1172
  • 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 D299-1172 available by request