P212-1138 Screening compound: N-[2-(4-chlorophenyl)pyrimidin-5-yl]-3,3-dimethylbutanamide

P212-1138 Screening compound: N-[2-(4-chlorophenyl)pyrimidin-5-yl]-3,3-dimethylbutanamide
P212-1138 Screening compound: N-[2-(4-chlorophenyl)pyrimidin-5-yl]-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P212-1138
N-[2-(4-chlorophenyl)pyrimidin-5-yl]-3,3-dimethylbutanamide

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

P212-1138

Molecular Formula

C16H18ClN3O (C16 H18 ClN3 O)

Compound Name

N-[2-(4-chlorophenyl)pyrimidin-5-yl]-3,3-dimethylbutanamide

IUPAC name

N-[2-(4-chlorophenyl)pyrimidin-5-yl]-33-dimethylbutanamide

SMILES

CC(C)(C)CC(Nc1cnc(-c(cc2)ccc2Cl)nc1)=O

InChI

InChI=1S/C16H18ClN3O/c1-16(2,3)8-14(21)20-13-9-18-15(19-10-13)11-4-6-12(17)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,20,21)

InChI Key

YGEXEJAXJRHXRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.371

Distribution Coefficient, logD

4.371

Water Solubility, LogSw

-4.48

Polar Surface Area

42.731

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

P212-1138 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P212-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P212-1138?
Check Price and Availability of P212-1138, 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 P212-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P212-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P212-1138
  • 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 P212-1138 available by request