D636-0010 Screening compound: 3,4-difluoro-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

D636-0010 Screening compound: 3,4-difluoro-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide
D636-0010 Screening compound: 3,4-difluoro-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D636-0010
3,4-difluoro-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

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

D636-0010

Molecular Formula

C21H21F2N5O2S (C21 H21 F2 N5 O2 S)

Compound Name

3,4-difluoro-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

IUPAC name

34-difluoro-N-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)benzene-1-sulfonamide

SMILES

Cc1cc(Nc(cc2)ccc2NS(c(cc2)cc(F)c2F)(=O)=O)nc(N2CCCC2)n1

InChI

InChI=1S/C21H21F2N5O2S/c1-14-12-20(26-21(24-14)28-10-2-3-11-28)25-15-4-6-16(7-5-15)27-31(29,30)17-8-9-18(22)19(23)13-17/h4-9,12-13,27H,2-3,10-11H2,1H3,(H,24,25,26)

InChI Key

IZQNYZMFLMYGIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.031

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-4.74

Polar Surface Area

71.491

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D636-0010 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D636-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D636-0010?
Check Price and Availability of D636-0010, 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 D636-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D636-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D636-0010
  • 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 D636-0010 available by request