C200-2177 Screening compound: 4-[2-[(2-chlorobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)butanamide

C200-2177 Screening compound: 4-[2-[(2-chlorobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)butanamide
C200-2177 Screening compound: 4-[2-[(2-chlorobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2177
4-[2-[(2-chlorobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)butanamide

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

C200-2177

Molecular Formula

C26H26ClN3O3S2 (C26 H26 ClN3 O3 S2)

Compound Name

4-[2-[(2-chlorobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N~1~-(tetrahydro-2-furanylmethyl)butanamide

IUPAC name

4-(4-{[(2-chlorophenyl)methyl]sulfanyl}-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-5-yl)-N-[(oxolan-2-yl)methyl]butanamide

SMILES

O=C(CCCN(C1=O)C(SCc(cccc2)c2Cl)=Nc2c1sc1c2cccc1)NCC1OCCC1

InChI

InChI=1S/C26H26ClN3O3S2/c27-20-10-3-1-7-17(20)16-34-26-29-23-19-9-2-4-11-21(19)35-24(23)25(32)30(26)13-5-12-22(31)28-15-18-8-6-14-33-18/h1-4,7,9-11,18H,5-6,8,12-16H2,(H,28,31)/t18-/m1/s1

InChI Key

KZXYRAWGCZUQGA-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14726410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.1

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

4.144

Water Solubility, LogSw

-4.32

Polar Surface Area

57.370

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

C200-2177 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-2177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2177?
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What is the minimum amount of C200-2177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2177
  • 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 C200-2177 available by request