P772-0100 Screening compound: 4-[4-isopropyl(methyl)anilino]-2,5-dimethyl-N~6~-(5-methyl-3-isoxazolyl)thieno[2,3-d]pyrimidine-6-carboxamide

P772-0100 Screening compound: 4-[4-isopropyl(methyl)anilino]-2,5-dimethyl-N~6~-(5-methyl-3-isoxazolyl)thieno[2,3-d]pyrimidine-6-carboxamide
P772-0100 Screening compound: 4-[4-isopropyl(methyl)anilino]-2,5-dimethyl-N~6~-(5-methyl-3-isoxazolyl)thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P772-0100
4-[4-isopropyl(methyl)anilino]-2,5-dimethyl-N~6~-(5-methyl-3-isoxazolyl)thieno[2,3-d]pyrimidine-6-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

P772-0100

Molecular Formula

C23H25N5O2S (C23 H25 N5 O2 S)

Compound Name

4-[4-isopropyl(methyl)anilino]-2,5-dimethyl-N~6~-(5-methyl-3-isoxazolyl)thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

n/a

SMILES

CC(C)c(cc1)ccc1N(C)c1c(c(C)c(C(Nc2noc(C)c2)=O)s2)c2nc(C)n1

InChI

InChI=1S/C23H25N5O2S/c1-12(2)16-7-9-17(10-8-16)28(6)21-19-14(4)20(31-23(19)25-15(5)24-21)22(29)26-18-11-13(3)30-27-18/h7-12H,1-6H3,(H,26,27,29)

InChI Key

PJKDWBHWDHEBLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.845

Distribution Coefficient, logD

5.004

Water Solubility, LogSw

-5.78

Polar Surface Area

66.520

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

P772-0100 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P772-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P772-0100?
Check Price and Availability of P772-0100, 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 P772-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P772-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P772-0100
  • 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 P772-0100 available by request