C202-0641 Screening compound: pentyl 2-methyl-4-(2-thienyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

C202-0641 Screening compound: pentyl 2-methyl-4-(2-thienyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
C202-0641 Screening compound: pentyl 2-methyl-4-(2-thienyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0641
pentyl 2-methyl-4-(2-thienyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

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

C202-0641

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

pentyl 2-methyl-4-(2-thienyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

pentyl 11-methyl-13-(thiophen-2-yl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-12-carboxylate

SMILES

CCCCCOC(C1=C(C)Nc2nc(cccc3)c3n2C1c1cccs1)=O

InChI

InChI=1S/C21H23N3O2S/c1-3-4-7-12-26-20(25)18-14(2)22-21-23-15-9-5-6-10-16(15)24(21)19(18)17-11-8-13-27-17/h5-6,8-11,13,19H,3-4,7,12H2,1-2H3,(H,22,23)/t19-/m0/s1

InChI Key

KXOVMTKEYXKVGT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14730106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.420

Distribution Coefficient, logD

5.403

Water Solubility, LogSw

-5.19

Polar Surface Area

46.100

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C202-0641 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C202-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0641?
Check Price and Availability of C202-0641, 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 C202-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0641
  • 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 C202-0641 available by request