D299-1066 Screening compound: N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(3-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide

D299-1066 Screening compound: N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(3-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide
D299-1066 Screening compound: N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(3-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-1066
N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(3-fluorophenyl)methyl][(furan-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

D299-1066

Molecular Formula

C27H27FN4O4S (C27 H27 FN4 O4 S)

Compound Name

N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(3-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide

IUPAC name

N-(25-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(3-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide

SMILES

CCS(c(nc1)nc(C(Nc2c(C)ccc(C)c2)=O)c1N(Cc1ccco1)Cc1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C27H27FN4O4S/c1-4-37(34,35)27-29-15-24(25(31-27)26(33)30-23-13-18(2)10-11-19(23)3)32(17-22-9-6-12-36-22)16-20-7-5-8-21(28)14-20/h5-15H,4,16-17H2,1-3H3,(H,30,33)

InChI Key

XIOAADTUCFACHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.24

Polar Surface Area

81.273

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D299-1066 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D299-1066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-1066?
Check Price and Availability of D299-1066, 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 D299-1066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-1066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-1066
  • 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 D299-1066 available by request