D639-0013 Screening compound: N-(3,5-difluorophenyl)-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide

D639-0013 Screening compound: N-(3,5-difluorophenyl)-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
D639-0013 Screening compound: N-(3,5-difluorophenyl)-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D639-0013
N-(3,5-difluorophenyl)-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-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

D639-0013

Molecular Formula

C18H22F2N6O (C18 H22 F2 N6 O)

Compound Name

N-(3,5-difluorophenyl)-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide

IUPAC name

N-(35-difluorophenyl)-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide

SMILES

Cc1nc(N(C)C)cc(N(CC2)CCN2C(Nc2cc(F)cc(F)c2)=O)n1

InChI

InChI=1S/C18H22F2N6O/c1-12-21-16(24(2)3)11-17(22-12)25-4-6-26(7-5-25)18(27)23-15-9-13(19)8-14(20)10-15/h8-11H,4-7H2,1-3H3,(H,23,27)

InChI Key

PMYOIAWTKPBKTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19029268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.534

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.70

Polar Surface Area

48.884

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D639-0013 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D639-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D639-0013?
Check Price and Availability of D639-0013, 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 D639-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D639-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D639-0013
  • 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 D639-0013 available by request